Vitas-M small molecule compound
methyl 4-{(1E)-3-[(2-chloro-5-nitrophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}benzoate
Catalog ID
STK031262
SMILES N#C/C(=C\c1ccc(cc1)C(=O)OC)/C(=O)Nc1cc(ccc1Cl)[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 C18H12ClN3O5 MW 385.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12ClN3O5/c1-27-18(24)12-4-2-11(3-5-12)8-13(10-20)17(23)21-16-9-14(22(25)26)6-7-15(16)19/h2-9H,1H3,(H,21,23)/b13-8+InChIKey
ICOVZKJVLFKTMC-MDWZMJQESA-NSynonyms
364737-67-7364737677
COC(=O)C1=CC=C(C=C1)C=C(C#N)C(=O)NC2=C(C=CC(=C2)(N+)(=O)(O))Cl
InChI=1SC18H12ClN3O5c12718(24)124211(3512)813(1020)17(23)2116914(22(25)26)6715(16)19h29H1H3(H2123)b138+
METHYL4((1E)3((2CHLORO5NITROPHENYL)AMINO)2CYANO3OXOPROP1EN1YL)BENZOATE
METHYL4((E)3(2CHLORO5NITROANILINO)2CYANO3OXOPROP1ENYL)BENZOATE
MFCD02608925
N#CC(=Cc1ccc(cc1)C(=O)OC)C(=O)Nc1cc(ccc1Cl)(N+)(=O)(O)
STK031262
ZINC000002797272
ZINC02797272
ZINC2797272
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