Vitas-M small molecule compound
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-{[5-(2,4-dichlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STK139845
SMILES N#Cc1c(NC(=O)CSc2nnc(n2C)c2ccc(cc2Cl)Cl)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 C20H17Cl2N5OS2 MW 478.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17Cl2N5OS2/c1-27-18(13-7-6-11(21)8-15(13)22)25-26-20(27)29-10-17(28)24-19-14(9-23)12-4-2-3-5-16(12)30-19/h6-8H,2-5,10H2,1H3,(H,24,28)InChIKey
OTSDRSRWXUIOPO-UHFFFAOYSA-NSynonyms
CN1C(=NN=C1SCC(=O)NC2=C(C3=C(S2)CCCC3)C#N)C4=C(C=C(C=C4)Cl)Cl
InChI=1SC20H17Cl2N5OS2c12718(137611(21)815(13)22)252620(27)291017(28)241914(923)12423516(12)3019h68H2510H21H3(H2428)
MFCD03997742
N(3cyano4567tetrahydro1benzothiophen2yl)2((5(24dichlorophenyl)4methyl124triazol3yl)sulfanyl)acetamide
N(3cyano4567tetrahydro1benzothiophen2yl)2((5(24dichlorophenyl)4methyl4H124triazol3yl)sulfanyl)acetamide
ZINC000009601186
ZINC09601186
ZINC9601186
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