Vitas-M small molecule compound
ethyl 4-[3-acetyl-4-hydroxy-2-(3-nitrophenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]benzoate
Catalog ID
STK840869
SMILES CCOC(=O)c1ccc(cc1)N1C(=O)C(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)C)O
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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 C21H18N2O7 MW 410.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O7/c1-3-30-21(27)13-7-9-15(10-8-13)22-18(17(12(2)24)19(25)20(22)26)14-5-4-6-16(11-14)23(28)29/h4-11,18,25H,3H2,1-2H3InChIKey
WCZGAIFWJYPTRW-UHFFFAOYSA-NSynonyms
371128-96-0371128960
CCOC(=O)C1=CC=C(C=C1)N2C(C(=C(C2=O)O)C(=O)C)C3=CC(=CC=C3)(N+)(=O)(O)
CCOC(=O)c1ccc(cc1)N1C(=O)C(=C(C1c1cccc(c1)(N+)(=O)(O))C(=O)C)O
ETHYL4((2R)3ACETYL4HYDROXY2(3NITROPHENYL)5OXO25DIHYDRO1HPYRROL1YL)BENZOATE
ethyl4(3acetyl4hydroxy2(3nitrophenyl)5oxo25dihydro1Hpyrrol1yl)benzoate
ETHYL4(3ACETYL4HYDROXY2(3NITROPHENYL)5OXO2HPYRROL1YL)BENZOATE
InChI=1SC21H18N2O7c133021(27)137915(10813)2218(17(12(2)24)19(25)20(22)26)1454616(1114)23(28)29h4111825H3H212H3
MFCD02158715
ZINC000001187199
ZINC000001187200
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