Vitas-M small molecule compound
ethyl 2-({[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]acetyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Catalog ID
STK548416
SMILES CCOC(=O)c1c(NC(=O)CSc2nc3CCCCCc3cc2C#N)sc2c1CCC2
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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 C23H25N3O3S2 MW 455.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N3O3S2/c1-2-29-23(28)20-16-8-6-10-18(16)31-22(20)26-19(27)13-30-21-15(12-24)11-14-7-4-3-5-9-17(14)25-21/h11H,2-10,13H2,1H3,(H,26,27)InChIKey
CPRFIXOWBOLORG-UHFFFAOYSA-NSynonyms
445383-11-9445383119
CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)CSC3=NC4=C(CCCCC4)C=C3C#N
ethyl2((((3cyano6789tetrahydro5Hcyclohepta(b)pyridin2yl)sulfanyl)acetyl)amino)56dihydro4Hcyclopenta(b)thiophene3carboxylate
ethyl2((2((3cyano6789tetrahydro5Hcyclohepta(b)pyridin2yl)sulfanyl)acetyl)amino)56dihydro4Hcyclopenta(b)thiophene3carboxylate
ethyl2(2((3cyano6789tetrahydro5Hcyclohepta(b)pyridin2yl)thio)acetamido)56dihydro4Hcyclopenta(b)thiophene3carboxylate
InChI=1SC23H25N3O3S2c122923(28)2016861018(16)3122(20)2619(27)13302115(1224)11147435917(14)2521h11H21013H21H3(H2627)
MFCD03234577
ZINC000000663310
ZINC00663310
ZINC663310
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