Vitas-M small molecule compound
4-{(1E)-3-[(4-chloro-2-nitrophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}phenyl 4-methoxybenzoate
Catalog ID
STL382744
SMILES COc1ccc(cc1)C(=O)Oc1ccc(cc1)/C=C(/C(=O)Nc1ccc(cc1[N+](=O)[O-])Cl)\C#N
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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 C24H16ClN3O6 MW 477.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H16ClN3O6/c1-33-19-9-4-16(5-10-19)24(30)34-20-7-2-15(3-8-20)12-17(14-26)23(29)27-21-11-6-18(25)13-22(21)28(31)32/h2-13H,1H3,(H,27,29)/b17-12+InChIKey
MTAIQJXYGJJJKY-SFQUDFHCSA-NSynonyms
(4((E)3(4CHLORO2NITROANILINO)2CYANO3OXOPROP1ENYL)PHENYL)4METHOXYBENZOATE
4((1E)2(N(4CHLORO2NITROPHENYL)CARBAMOYL)2CYANOVINYL)PHENYL4METHOXYBENZOATE
4((1E)3((4chloro2nitrophenyl)amino)2cyano3oxoprop1en1yl)phenyl4methoxybenzoate
COC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=C(C#N)C(=O)NC3=C(C=C(C=C3)Cl)(N+)(=O)(O)
COc1ccc(cc1)C(=O)Oc1ccc(cc1)C=C(C(=O)Nc1ccc(cc1(N+)(=O)(O))Cl)C#N
InChI=1SC24H16ClN3O6c133199416(51019)24(30)34207215(3820)1217(1426)23(29)272111618(25)1322(21)28(31)32h213H1H3(H2729)b1712+
MFCD02731701
ZINC000013388000
ZINC13388000
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