Vitas-M small molecule compound
2-{(1E)-3-[(2-chloro-5-nitrophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}phenyl 4-methoxybenzoate
Catalog ID
STK012846
SMILES COc1ccc(cc1)C(=O)Oc1ccccc1/C=C(/C(=O)Nc1cc(ccc1Cl)[N+](=O)[O-])\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/c1-33-19-9-6-15(7-10-19)24(30)34-22-5-3-2-4-16(22)12-17(14-26)23(29)27-21-13-18(28(31)32)8-11-20(21)25/h2-13H,1H3,(H,27,29)/b17-12+InChIKey
QKCWLCRMEGTZOU-SFQUDFHCSA-NSynonyms
731836-14-9(2((E)3(2CHLORO5NITROANILINO)2CYANO3OXOPROP1ENYL)PHENYL)4METHOXYBENZOATE
2((1E)3((2CHLORO5NITROPHENYL)AMINO)2CYANO3OXOPROP1EN1YL)PHENYL4METHOXYBENZOATE
731836149
COC1=CC=C(C=C1)C(=O)OC2=CC=CC=C2C=C(C#N)C(=O)NC3=C(C=CC(=C3)(N+)(=O)(O))Cl
COc1ccc(cc1)C(=O)Oc1ccccc1C=C(C(=O)Nc1cc(ccc1Cl)(N+)(=O)(O))C#N
InChI=1SC24H16ClN3O6c133199615(71019)24(30)3422532416(22)1217(1426)23(29)27211318(28(31)32)81120(21)25h213H1H3(H2729)b1712+
MFCD02609026
STK012846
ZINC000002797354
ZINC02797354
ZINC2797354
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