Vitas-M small molecule compound
2-{[5-(1-benzofuran-2-yl)-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
STK245463
SMILES N#Cc1c(NC(=O)CSc2nnc(n2C)c2cc3c(o2)cccc3)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 C22H19N5O2S2 MW 449.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N5O2S2/c1-27-20(17-10-13-6-2-4-8-16(13)29-17)25-26-22(27)30-12-19(28)24-21-15(11-23)14-7-3-5-9-18(14)31-21/h2,4,6,8,10H,3,5,7,9,12H2,1H3,(H,24,28)InChIKey
YJGRBKLXDRDCHQ-UHFFFAOYSA-NSynonyms
2((5(1benzofuran2yl)4methyl124triazol3yl)sulfanyl)N(3cyano4567tetrahydro1benzothiophen2yl)acetamide
2((5(1benzofuran2yl)4methyl4H124triazol3yl)sulfanyl)N(3cyano4567tetrahydro1benzothiophen2yl)acetamide
CN1C(=NN=C1SCC(=O)NC2=C(C3=C(S2)CCCC3)C#N)C4=CC5=CC=CC=C5O4
InChI=1SC22H19N5O2S2c12720(171013624816(13)2917)252622(27)301219(28)242115(1123)14735918(14)3121h246810H357912H21H3(H2428)
MFCD08670010
ZINC000009306071
ZINC09306071
ZINC9306071
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