Vitas-M small molecule compound
2-{[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
Catalog ID
STL195678
SMILES N#Cc1c(NC(=O)CSc2nnc(n2C)c2ccc(cc2)Br)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 C20H18BrN5OS2 MW 488.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18BrN5OS2/c1-26-18(12-6-8-13(21)9-7-12)24-25-20(26)28-11-17(27)23-19-15(10-22)14-4-2-3-5-16(14)29-19/h6-9H,2-5,11H2,1H3,(H,23,27)InChIKey
ASLCHSSBKGQDFT-UHFFFAOYSA-NSynonyms
2((5(4bromophenyl)4methyl124triazol3yl)sulfanyl)N(3cyano4567tetrahydro1benzothiophen2yl)acetamide
2((5(4bromophenyl)4methyl4H124triazol3yl)sulfanyl)N(3cyano4567tetrahydro1benzothiophen2yl)acetamide
CN1C(=NN=C1SCC(=O)NC2=C(C3=C(S2)CCCC3)C#N)C4=CC=C(C=C4)Br
InChI=1SC20H18BrN5OS2c12618(126813(21)9712)242520(26)281117(27)231915(1022)14423516(14)2919h69H2511H21H3(H2327)
MFCD05991962
ZINC000002859274
ZINC02859274
ZINC2859274
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