Vitas-M small molecule compound
3-{(1E)-2-cyano-3-[(4-methoxy-2-nitrophenyl)amino]-3-oxoprop-1-en-1-yl}phenyl 4-chlorobenzoate
Catalog ID
STK084562
SMILES N#C/C(=C\c1cccc(c1)OC(=O)c1ccc(cc1)Cl)/C(=O)Nc1ccc(cc1[N+](=O)[O-])OC
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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/c1-33-19-9-10-21(22(13-19)28(31)32)27-23(29)17(14-26)11-15-3-2-4-20(12-15)34-24(30)16-5-7-18(25)8-6-16/h2-13H,1H3,(H,27,29)/b17-11+InChIKey
MYNDOVOCPWBCBK-GZTJUZNOSA-NSynonyms
364745-43-7(3((E)2CYANO3(4METHOXY2NITROANILINO)3OXOPROP1ENYL)PHENYL)4CHLOROBENZOATE
3((1E)2CYANO3((4METHOXY2NITROPHENYL)AMINO)3OXOPROP1EN1YL)PHENYL4CHLOROBENZOATE
364745437
COC1=CC(=C(C=C1)NC(=O)C(=CC2=CC(=CC=C2)OC(=O)C3=CC=C(C=C3)Cl)C#N)(N+)(=O)(O)
InChI=1SC24H16ClN3O6c1331991021(22(1319)28(31)32)2723(29)17(1426)111532420(1215)3424(30)165718(25)8616h213H1H3(H2729)b1711+
MFCD02609099
N#CC(=Cc1cccc(c1)OC(=O)c1ccc(cc1)Cl)C(=O)Nc1ccc(cc1(N+)(=O)(O))OC
STK084562
ZINC000009679079
ZINC09679079
ZINC9679079
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