Vitas-M small molecule compound
5-({2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl}sulfanyl)-4-methyl-N-(2-methylphenyl)-4H-1,2,4-triazole-3-carboxamide
Catalog ID
STL481005
SMILES N#Cc1c(NC(=O)CSc2nnc(n2C)C(=O)Nc2ccccc2C)sc2c1CCCC2
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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 C22H22N6O2S2 MW 466.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N6O2S2/c1-13-7-3-5-9-16(13)24-20(30)19-26-27-22(28(19)2)31-12-18(29)25-21-15(11-23)14-8-4-6-10-17(14)32-21/h3,5,7,9H,4,6,8,10,12H2,1-2H3,(H,24,30)(H,25,29)InChIKey
LOOHNDFITICUAH-UHFFFAOYSA-NSynonyms
5((2((3cyano4567tetrahydro1benzothiophen2yl)amino)2oxoethyl)sulfanyl)4methylN(2methylphenyl)4H124triazole3carboxamide
5(2((3cyano4567tetrahydro1benzothiophen2yl)amino)2oxoethyl)sulfanyl4methylN(2methylphenyl)124triazole3carboxamide
CC1=CC=CC=C1NC(=O)C2=NN=C(N2C)SCC(=O)NC3=C(C4=C(S3)CCCC4)C#N
InChI=1SC22H22N6O2S2c113735916(13)2420(30)19262722(28(19)2)311218(29)252115(1123)148461017(14)3221h3579H4681012H212H3(H2430)(H2529)
MFCD07437649
ZINC000014162158
ZINC14162158
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