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· · COA & SDS available for every product · Same-day shipping on in-stock items Velpatasvir - Moligand™, ≥97% , Nonstructural protein 5A inhibitor, CAS No.1377049-84-7, Nonstructural protein 5A inhibitor
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥97% Synonyms
methyl N-[(1R)-2-[(2S,4S)-2-(5-{6-[(2S,5S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl]-5-methylpyrrolidin-2-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.0?,??.0?,?.0??,??]henicosa-1,3,6,8,10,12,14,16,18-nonaen-17-yl}-1H-imidazol-2-yl)-4-(methoxymethyl)p
Storage
Store at -20°C,Argon charged
Shipped In
Ice chest + Ice pads
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Why this grade Moligand™, ≥97% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at -20°C,Argon charged Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
methyl N-[(1R)-2-[(2S, 4S)-2-(5-{6-[(2S, 5S)-1-[(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl]-5-methylpyrrolidin-2-yl]-21-oxa-5, 7-diazapentacyclo[11.8.0.0?, ??.0?, ?.0??, ??]henicosa-1, 3, 6, 8, 10, 12, 14, 16, 18-nonaen-17-yl}-1H-imidazol-2-yl)-4-(methoxymethyl)p
Specifications & Purity
Moligand™, ≥97%
Storage
Store at -20°C, Argon charged
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Mechanism of action
Nonstructural protein 5A inhibitor
Product Properties Names and Identifiers Pubchem Sid 504771909 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504771909 Canonical Smiles CC1CCC(N1C(=O)C(C(C)C)NC(=O)OC)C2=NC3=C(N2)C=CC4=CC5=C(C=C43)OCC6=C5C=CC(=C6)C7=CN=C(N7)C8CC(CN8C(=O)C(C9=CC=CC=C9)NC(=O)OC)COC IUPAC Name methyl N-[(1R)-2-[(2S,4S)-2-[5-[6-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidin-2-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-17-yl]-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate InChIKey FHCUMDQMBHQXKK-CDIODLITSA-N INCHI 1S/C49H54N8O8/c1-26(2)41(54-48(60)63-5)47(59)57-27(3)12-17-38(57)45-51-36-16-14-30-20-35-33-15-13-31(19-32(33)25-65-40(35)21-34(30)43(36)53-45)37-22-50-44(52-37)39-18-28(24-62-4)23-56(39)46(58)42(55-49(61)64-6)29-10-8-7-9-11-29/h7-11,13-16,19-22,26-28,38-39,41-42H,12,17-18,23-25H2,1-6H3,(H,50,52)(H,51,53)(H,54,60)(H,55,61)/t27-,28-,38-,39-,41-,42+/m0/s1 Isomeric SMILES C[C@H]1CC[C@H](N1C(=O)[C@H](C(C)C)NC(=O)OC)C2=NC3=C(N2)C=CC4=CC5=C(C=C43)OCC6=C5C=CC(=C6)C7=CN=C(N7)[C@@H]8C[C@@H](CN8C(=O)[C@@H](C9=CC=CC=C9)NC(=O)OC)COC Molecular Weight 883.019 Reaxy-Rn 30954789 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30954789&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Class Naphthopyrans Subclass Not available Intermediate Tree Nodes Not available Direct Parent Naphthopyrans Alternative Parents Dibenzopyrans Valine and derivatives Alpha amino acid amides Phenylacetamides 2-benzopyrans Naphthalenes Benzimidazoles N-acylpyrrolidines Alkyl aryl ethers Pyrans Tertiary carboxylic acid amides Methylcarbamates Imidazoles Heteroaromatic compounds Azacyclic compounds Dialkyl ethers Oxacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Molecular Framework Aromatic heteropolycyclic compounds Substituents Naphthopyran - Dibenzopyran - Valine or derivatives - Alpha-amino acid amide - Naphthalene - Phenylacetamide - 1-benzopyran - 2-benzopyran - Benzopyran - Alpha-amino acid or derivatives - Benzimidazole - N-acylpyrrolidine - Alkyl aryl ether - Benzenoid - Pyran - Monocyclic benzene moiety - Methylcarbamate - Imidazole - Carbamic acid ester - Tertiary carboxylic acid amide - Pyrrolidine - Heteroaromatic compound - Azole - Carboxamide group - Oxacycle - Azacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organopnictogen compound - Organonitrogen compound - Organic oxide - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as naphthopyrans. These are compounds containing a pyran ring fused to a naphthalene moiety. Furan is a 6 membered-ring non-aromatic ring with five carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility ≥146.66mg/mL in DMSO (Need ultrasonic and warming); Insoluble in H2O Melt Point(°C) >170ºC (dec.) Molecular Weight 883.000 g/mol XLogP3 6.200 Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 10 Rotatable Bond Count 13 Exact Mass 882.406 Da Monoisotopic Mass 882.406 Da Topological Polar Surface Area 193.000 Ų Heavy Atom Count 65 Formal Charge 0 Complexity 1690.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 6 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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