Vitas-M small molecule compound
ethyl 2-({[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK546482
SMILES CCOC(=O)c1c(NC(=O)CSc2nc3CCCc3cc2C#N)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 C22H23N3O3S2 MW 441.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N3O3S2/c1-2-28-22(27)19-15-7-3-4-9-17(15)30-21(19)25-18(26)12-29-20-14(11-23)10-13-6-5-8-16(13)24-20/h10H,2-9,12H2,1H3,(H,25,26)InChIKey
OZBHMCYAUWMLTI-UHFFFAOYSA-NSynonyms
387831-15-4387831154
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CSC3=NC4=C(CCC4)C=C3C#N
ethyl2((((3cyano67dihydro5Hcyclopenta(b)pyridin2yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((2((3cyano67dihydro5Hcyclopenta(b)pyridin2yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2(2((3cyano67dihydro5Hcyclopenta(b)pyridin2yl)thio)acetamido)4567tetrahydrobenzo(b)thiophene3carboxylate
InChI=1SC22H23N3O3S2c122822(27)1915734917(15)3021(19)2518(26)12292014(1123)101365816(13)2420h10H2912H21H3(H2526)
MFCD03234574
ZINC000000663299
ZINC00663299
ZINC663299
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