Vitas-M small molecule compound
methyl 2-{[N-(2,5-dimethylphenyl)-N-(methylsulfonyl)glycyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL254211
SMILES COC(=O)c1c(NC(=O)CN(S(=O)(=O)C)c2cc(C)ccc2C)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 C21H26N2O5S2 MW 450.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N2O5S2/c1-13-9-10-14(2)16(11-13)23(30(4,26)27)12-18(24)22-20-19(21(25)28-3)15-7-5-6-8-17(15)29-20/h9-11H,5-8,12H2,1-4H3,(H,22,24)InChIKey
ZPAGEOPDVQNYTN-UHFFFAOYSA-NSynonyms
CC1=CC(=C(C=C1)C)N(CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)S(=O)(=O)C
InChI=1SC21H26N2O5S2c11391014(2)16(1113)23(30(426)27)1218(24)222019(21(25)283)15756817(15)2920h911H5812H214H3(H2224)
methyl2((2(25dimethylNmethylsulfonylanilino)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((N(25dimethylphenyl)N(methylsulfonyl)glycyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD03996778
ZINC000001139525
ZINC01139525
ZINC1139525
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