Vitas-M small molecule compound
methyl 4-{(1E)-3-[(4-chloro-2-nitrophenyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}benzoate
Catalog ID
STL383533
SMILES N#C/C(=C\c1ccc(cc1)C(=O)OC)/C(=O)Nc1ccc(cc1[N+](=O)[O-])Cl
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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)21-15-7-6-14(19)9-16(15)22(25)26/h2-9H,1H3,(H,21,23)/b13-8+InChIKey
JHWUXZCUPDEZKS-MDWZMJQESA-NSynonyms
444658-24-6444658246
COC(=O)C1=CC=C(C=C1)C=C(C#N)C(=O)NC2=C(C=C(C=C2)Cl)(N+)(=O)(O)
InChI=1SC18H12ClN3O5c12718(24)124211(3512)813(1020)17(23)21157614(19)916(15)22(25)26h29H1H3(H2123)b138+
methyl4((1E)3((4chloro2nitrophenyl)amino)2cyano3oxoprop1en1yl)benzoate
METHYL4((E)3(4CHLORO2NITROANILINO)2CYANO3OXOPROP1ENYL)BENZOATE
MFCD02225274
N#CC(=Cc1ccc(cc1)C(=O)OC)C(=O)Nc1ccc(cc1(N+)(=O)(O))Cl
ZINC000004953826
ZINC04953826
ZINC4953826
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