Vitas-M small molecule compound
4-{(1E)-2-cyano-3-[(2-methyl-4-nitrophenyl)amino]-3-oxoprop-1-en-1-yl}phenyl 2-nitrobenzoate
Catalog ID
STL382697
SMILES N#C/C(=C\c1ccc(cc1)OC(=O)c1ccccc1[N+](=O)[O-])/C(=O)Nc1ccc(cc1C)[N+](=O)[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 C24H16N4O7 MW 472.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H16N4O7/c1-15-12-18(27(31)32)8-11-21(15)26-23(29)17(14-25)13-16-6-9-19(10-7-16)35-24(30)20-4-2-3-5-22(20)28(33)34/h2-13H,1H3,(H,26,29)/b17-13+InChIKey
UFWTUHYWLFMFQS-GHRIWEEISA-NSynonyms
(4((E)2CYANO3(2METHYL4NITROANILINO)3OXOPROP1ENYL)PHENYL)2NITROBENZOATE
4((1E)2CYANO2(N(2METHYL4NITROPHENYL)CARBAMOYL)VINYL)PHENYL2NITROBENZOATE
4((1E)2cyano3((2methyl4nitrophenyl)amino)3oxoprop1en1yl)phenyl2nitrobenzoate
CC1=C(C=CC(=C1)(N+)(=O)(O))NC(=O)C(=CC2=CC=C(C=C2)OC(=O)C3=CC=CC=C3(N+)(=O)(O))C#N
InChI=1SC24H16N4O7c1151218(27(31)32)81121(15)2623(29)17(1425)13166919(10716)3524(30)20423522(20)28(33)34h213H1H3(H2629)b1713+
MFCD02731589
N#CC(=Cc1ccc(cc1)OC(=O)c1ccccc1(N+)(=O)(O))C(=O)Nc1ccc(cc1C)(N+)(=O)(O)
ZINC000009057348
ZINC09057348
ZINC9057348
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