Vitas-M small molecule compound
4-{(1E)-2-cyano-3-[(2-methylphenyl)amino]-3-oxoprop-1-en-1-yl}phenyl 4-methylbenzoate
Catalog ID
STK899491
SMILES N#C/C(=C\c1ccc(cc1)OC(=O)c1ccc(cc1)C)/C(=O)Nc1ccccc1C
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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 C25H20N2O3 MW 396.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N2O3/c1-17-7-11-20(12-8-17)25(29)30-22-13-9-19(10-14-22)15-21(16-26)24(28)27-23-6-4-3-5-18(23)2/h3-15H,1-2H3,(H,27,28)/b21-15+InChIKey
BHQVGANVZBISRI-RCCKNPSSSA-NSynonyms
(4((E)2cyano3(2methylanilino)3oxoprop1enyl)phenyl)4methylbenzoate
4((1E)2CYANO2(N(2METHYLPHENYL)CARBAMOYL)VINYL)PHENYL4METHYLBENZOATE
4((1E)2cyano3((2methylphenyl)amino)3oxoprop1en1yl)phenyl4methylbenzoate
CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=C(C#N)C(=O)NC3=CC=CC=C3C
InChI=1SC25H20N2O3c11771120(12817)25(29)302213919(101422)1521(1626)24(28)2723643518(23)2h315H12H3(H2728)b2115+
MFCD02364645
N#CC(=Cc1ccc(cc1)OC(=O)c1ccc(cc1)C)C(=O)Nc1ccccc1C
ZINC000000948743
ZINC00948743
ZINC948743
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