Vitas-M small molecule compound
methyl 2-{[N-(3-bromophenyl)-N-(methylsulfonyl)glycyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL113255
SMILES COC(=O)c1c(NC(=O)CN(S(=O)(=O)C)c2cccc(c2)Br)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 C19H21BrN2O5S2 MW 501.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21BrN2O5S2/c1-27-19(24)17-14-8-3-4-9-15(14)28-18(17)21-16(23)11-22(29(2,25)26)13-7-5-6-12(20)10-13/h5-7,10H,3-4,8-9,11H2,1-2H3,(H,21,23)InChIKey
XAAYZGHJTIUHHO-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN(C3=CC(=CC=C3)Br)S(=O)(=O)C
InChI=1SC19H21BrN2O5S2c12719(24)1714834915(14)2818(17)2116(23)1122(29(225)26)1375612(20)1013h5710H348911H212H3(H2123)
methyl2((2(3bromoNmethylsulfonylanilino)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((N(3bromophenyl)N(methylsulfonyl)glycyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD03998023
ZINC000001143918
ZINC01143918
ZINC1143918
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Check stock on Vitas-MAvailable files
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