Vitas-M small molecule compound
methyl 4-({4-[(1E)-2-cyano-3-oxo-3-{[2-(trifluoromethyl)phenyl]amino}prop-1-en-1-yl]phenoxy}methyl)benzoate
Catalog ID
STK473613
SMILES N#C/C(=C\c1ccc(cc1)OCc1ccc(cc1)C(=O)OC)/C(=O)Nc1ccccc1C(F)(F)F
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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 C26H19F3N2O4 MW 480.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19F3N2O4/c1-34-25(33)19-10-6-18(7-11-19)16-35-21-12-8-17(9-13-21)14-20(15-30)24(32)31-23-5-3-2-4-22(23)26(27,28)29/h2-14H,16H2,1H3,(H,31,32)/b20-14+InChIKey
ZRFVUOOGYRNGTI-XSFVSMFZSA-NSynonyms
COC(=O)C1=CC=C(C=C1)COC2=CC=C(C=C2)C=C(C#N)C(=O)NC3=CC=CC=C3C(F)(F)F
InChI=1SC26H19F3N2O4c13425(33)1910618(71119)16352112817(91321)1420(1530)24(32)3123532422(23)26(2728)29h214H16H21H3(H3132)b2014+
METHYL4((4((1E)2CYANO2(N(2(TRIFLUOROMETHYL)PHENYL)CARBAMOYL)VINYL)PHENOXY)METHYL)BENZOATE
methyl4((4((1E)2cyano3oxo3((2(trifluoromethyl)phenyl)amino)prop1en1yl)phenoxy)methyl)benzoate
methyl4((4((E)2cyano3oxo3(2(trifluoromethyl)anilino)prop1enyl)phenoxy)methyl)benzoate
MFCD05559804
N#CC(=Cc1ccc(cc1)OCc1ccc(cc1)C(=O)OC)C(=O)Nc1ccccc1C(F)(F)F
ZINC000016388512
ZINC16388512
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