Vitas-M small molecule compound
methyl 2-{[N-(2-methoxy-5-methylphenyl)-N-(methylsulfonyl)glycyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK187703
SMILES COc1ccc(cc1N(S(=O)(=O)C)CC(=O)Nc1sc2c(c1C(=O)OC)CCCC2)C
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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 C21H26N2O6S2 MW 466.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N2O6S2/c1-13-9-10-16(28-2)15(11-13)23(31(4,26)27)12-18(24)22-20-19(21(25)29-3)14-7-5-6-8-17(14)30-20/h9-11H,5-8,12H2,1-4H3,(H,22,24)InChIKey
ZBMDHZKWDXFYOX-UHFFFAOYSA-NSynonyms
733788-56-2733788562
CC1=CC(=C(C=C1)OC)N(CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)S(=O)(=O)C
InChI=1SC21H26N2O6S2c11391016(282)15(1113)23(31(426)27)1218(24)222019(21(25)293)14756817(14)3020h911H5812H214H3(H2224)
methyl2((2(2methoxy5methylNmethylsulfonylanilino)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((N(2methoxy5methylphenyl)N(methylsulfonyl)glycyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD03985850
ZINC000003350241
ZINC03350241
ZINC3350241
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