Vitas-M small molecule compound
methyl 2-[({[4-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Catalog ID
STK436760
SMILES COC(=O)c1c(NC(=O)CSc2nnc(n2C)C(C)C)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 C17H22N4O3S2 MW 394.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22N4O3S2/c1-9(2)14-19-20-17(21(14)3)25-8-12(22)18-15-13(16(23)24-4)10-6-5-7-11(10)26-15/h9H,5-8H2,1-4H3,(H,18,22)InChIKey
YYCUACQMJGNLLD-UHFFFAOYSA-NSynonyms
CC(C)C1=NN=C(N1C)SCC(=O)NC2=C(C3=C(S2)CCC3)C(=O)OC
InChI=1SC17H22N4O3S2c19(2)14192017(21(14)3)25812(22)181513(16(23)244)1065711(10)2615h9H58H214H3(H1822)
methyl2((((4methyl5(propan2yl)4H124triazol3yl)sulfanyl)acetyl)amino)56dihydro4Hcyclopenta(b)thiophene3carboxylate
METHYL2((2((4METHYL5PROPAN2YL124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE3CARBOXYLATE
METHYL2(2(4METHYL5(METHYLETHYL)124TRIAZOL3YLTHIO)ACETYLAMINO)456TRIHYDROCYCLOPENTA(21B)THIOPHENE3CARBOXYLATE
MFCD03945042
ZINC000017080670
ZINC17080670
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