Vitas-M small molecule compound
ethyl 4-(3-{(1E)-2-cyano-3-[(4-ethylphenyl)amino]-3-oxoprop-1-en-1-yl}-2,5-diphenyl-1H-pyrrol-1-yl)benzoate
Catalog ID
STK186237
SMILES CCOC(=O)c1ccc(cc1)n1c(c2ccccc2)c(cc1c1ccccc1)/C=C(/C(=O)Nc1ccc(cc1)CC)\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 C37H31N3O3 MW 565.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H31N3O3/c1-3-26-15-19-32(20-16-26)39-36(41)31(25-38)23-30-24-34(27-11-7-5-8-12-27)40(35(30)28-13-9-6-10-14-28)33-21-17-29(18-22-33)37(42)43-4-2/h5-24H,3-4H2,1-2H3,(H,39,41)/b31-23+InChIKey
KJKQIYKTVFJQQT-UQRQXUALSA-NSynonyms
CCC1=CC=C(C=C1)NC(=O)C(=CC2=C(N(C(=C2)C3=CC=CC=C3)C4=CC=C(C=C4)C(=O)OCC)C5=CC=CC=C5)C#N
CCOC(=O)c1ccc(cc1)n1c(c2ccccc2)c(cc1c1ccccc1)C=C(C(=O)Nc1ccc(cc1)CC)C#N
ETHYL4(3((1E)2CYANO3((4ETHYLPHENYL)AMINO)3OXOPROP1EN1YL)25DIPHENYL1HPYRROL1YL)BENZOATE
ethyl4(3((E)2cyano3(4ethylanilino)3oxoprop1enyl)25diphenylpyrrol1yl)benzoate
InChI=1SC37H31N3O3c1326151932(201626)3936(41)31(2538)23302434(27117581227)40(35(30)281396101428)33211729(182233)37(42)4342h524H34H212H3(H3941)b3123+
MFCD02194580
ZINC000097960768
ZINC97960768
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