Vitas-M small molecule compound
3-{(1E)-2-cyano-3-[(4-methylphenyl)amino]-3-oxoprop-1-en-1-yl}phenyl 4-methylbenzoate
Catalog ID
STK008460
SMILES N#C/C(=C\c1cccc(c1)OC(=O)c1ccc(cc1)C)/C(=O)Nc1ccc(cc1)C
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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/c1-17-6-10-20(11-7-17)25(29)30-23-5-3-4-19(15-23)14-21(16-26)24(28)27-22-12-8-18(2)9-13-22/h3-15H,1-2H3,(H,27,28)/b21-14+InChIKey
UBCMTMQQYPSFSW-KGENOOAVSA-NSynonyms
364626-86-8(3((E)2CYANO3(4METHYLANILINO)3OXOPROP1ENYL)PHENYL)4METHYLBENZOATE
3((1E)2CYANO3((4METHYLPHENYL)AMINO)3OXOPROP1EN1YL)PHENYL4METHYLBENZOATE
364626868
CC1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)C=C(C#N)C(=O)NC3=CC=C(C=C3)C
InChI=1SC25H20N2O3c11761020(11717)25(29)302353419(1523)1421(1626)24(28)272212818(2)91322h315H12H3(H2728)b2114+
MFCD02605299
N#CC(=Cc1cccc(c1)OC(=O)c1ccc(cc1)C)C(=O)Nc1ccc(cc1)C
STK008460
ZINC000002805826
ZINC02805826
ZINC2805826
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