Vitas-M small molecule compound
ethyl 2-(acetylamino)-6-bromo-7-{[(4-nitrophenyl)carbonyl]oxy}-1-benzothiophene-3-carboxylate
Catalog ID
STK280120
SMILES CCOC(=O)c1c(NC(=O)C)sc2c1ccc(c2OC(=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 C20H15BrN2O7S MW 507.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15BrN2O7S/c1-3-29-20(26)15-13-8-9-14(21)16(17(13)31-18(15)22-10(2)24)30-19(25)11-4-6-12(7-5-11)23(27)28/h4-9H,3H2,1-2H3,(H,22,24)InChIKey
PYEGCPPLWJQCDV-UHFFFAOYSA-NSynonyms
329059-57-62(ACETYLAMINO)6BROMO3(ETHOXYCARBONYL)BENZO(B)THIOPHEN7YL4NITROBENZOATE
329059576
CCOC(=O)C1=C(SC2=C1C=CC(=C2OC(=O)C3=CC=C(C=C3)(N+)(=O)(O))Br)NC(=O)C
CCOC(=O)c1c(NC(=O)C)sc2c1ccc(c2OC(=O)c1ccc(cc1)(N+)(=O)(O))Br
ethyl2(acetylamino)6bromo7(((4nitrophenyl)carbonyl)oxy)1benzothiophene3carboxylate
ETHYL2ACETAMIDO6BROMO7(4NITROBENZOYL)OXY1BENZOTHIOPHENE3CARBOXYLATE
InChI=1SC20H15BrN2O7Sc132920(26)15138914(21)16(17(13)3118(15)2210(2)24)3019(25)114612(7511)23(27)28h49H3H212H3(H2224)
MFCD00326633
ZINC000003146545
ZINC03146545
ZINC3146545
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