Vitas-M small molecule compound
ethyl 2-(acetylamino)-6-bromo-7-[2-(4-nitrophenyl)-2-oxoethoxy]-1-benzothiophene-3-carboxylate
Catalog ID
STK280153
SMILES CCOC(=O)c1c(NC(=O)C)sc2c1ccc(c2OCC(=O)c1ccc(cc1)[N+](=O)[O-])Br
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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 C21H17BrN2O7S MW 521.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17BrN2O7S/c1-3-30-21(27)17-14-8-9-15(22)18(19(14)32-20(17)23-11(2)25)31-10-16(26)12-4-6-13(7-5-12)24(28)29/h4-9H,3,10H2,1-2H3,(H,23,25)InChIKey
KHMOLMGINZXGDF-UHFFFAOYSA-NSynonyms
331275-47-9331275479
CCOC(=O)C1=C(SC2=C1C=CC(=C2OCC(=O)C3=CC=C(C=C3)(N+)(=O)(O))Br)NC(=O)C
CCOC(=O)c1c(NC(=O)C)sc2c1ccc(c2OCC(=O)c1ccc(cc1)(N+)(=O)(O))Br
ethyl2(acetylamino)6bromo7(2(4nitrophenyl)2oxoethoxy)1benzothiophene3carboxylate
ETHYL2ACETAMIDO6BROMO7(2(4NITROPHENYL)2OXOETHOXY)1BENZOTHIOPHENE3CARBOXYLATE
InChI=1SC21H17BrN2O7Sc133021(27)17148915(22)18(19(14)3220(17)2311(2)25)311016(26)124613(7512)24(28)29h49H310H212H3(H2325)
MFCD00769544
ZINC000002075295
ZINC02075295
ZINC2075295
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