Vitas-M small molecule compound
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5-cyclopropyl-1-phenyl-1H-1,2,3-triazole-4-carboxamide
Catalog ID
STL018364
SMILES N#Cc1c(sc2c1CCCC2)NC(=O)c1nnn(c1C1CC1)c1ccccc1
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C21H19N5OS MW 389.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N5OS/c22-12-16-15-8-4-5-9-17(15)28-21(16)23-20(27)18-19(13-10-11-13)26(25-24-18)14-6-2-1-3-7-14/h1-3,6-7,13H,4-5,8-11H2,(H,23,27)InChIKey
OFDOTIMWVFITQW-UHFFFAOYSA-NSynonyms
C1CCC2=C(C1)C(=C(S2)NC(=O)C3=C(N(N=N3)C4=CC=CC=C4)C5CC5)C#N
InChI=1SC21H19N5OSc22121615845917(15)2821(16)2320(27)1819(13101113)26(252418)146213714h136713H45811H2(H2327)
MFCD12968045
N(3cyano4567tetrahydro1benzothiophen2yl)5cyclopropyl1phenyl1H123triazole4carboxamide
N(3cyano4567tetrahydro1benzothiophen2yl)5cyclopropyl1phenyltriazole4carboxamide
ZINC000036636113
ZINC36636113
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