Vitas-M small molecule compound
3-{(1E)-2-cyano-3-[(4-fluorophenyl)amino]-3-oxoprop-1-en-1-yl}phenyl 4-methoxybenzoate
Catalog ID
STK522771
SMILES COc1ccc(cc1)C(=O)Oc1cccc(c1)/C=C(/C(=O)Nc1ccc(cc1)F)\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 C24H17FN2O4 MW 416.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H17FN2O4/c1-30-21-11-5-17(6-12-21)24(29)31-22-4-2-3-16(14-22)13-18(15-26)23(28)27-20-9-7-19(25)8-10-20/h2-14H,1H3,(H,27,28)/b18-13+InChIKey
ZNSITQJDZICYEN-QGOAFFKASA-NSynonyms
(3((E)2CYANO3(4FLUOROANILINO)3OXOPROP1ENYL)PHENYL)4METHOXYBENZOATE
3((1E)2cyano3((4fluorophenyl)amino)3oxoprop1en1yl)phenyl4methoxybenzoate
COC1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)C=C(C#N)C(=O)NC3=CC=C(C=C3)F
COc1ccc(cc1)C(=O)Oc1cccc(c1)C=C(C(=O)Nc1ccc(cc1)F)C#N
InChI=1SC24H17FN2O4c1302111517(61221)24(29)312242316(1422)1318(1526)23(28)27209719(25)81020h214H1H3(H2728)b1813+
MFCD03155012
ZINC000001439507
ZINC01439507
ZINC1439507
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