Vitas-M small molecule compound
(2E)-N-[4-(acetylamino)phenyl]-2-cyano-3-{3-ethoxy-4-[(4-fluorobenzyl)oxy]phenyl}prop-2-enamide
Catalog ID
STK522884
SMILES CCOc1cc(ccc1OCc1ccc(cc1)F)/C=C(/C(=O)Nc1ccc(cc1)NC(=O)C)\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 C27H24FN3O4 MW 473.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24FN3O4/c1-3-34-26-15-20(6-13-25(26)35-17-19-4-7-22(28)8-5-19)14-21(16-29)27(33)31-24-11-9-23(10-12-24)30-18(2)32/h4-15H,3,17H2,1-2H3,(H,30,32)(H,31,33)/b21-14+InChIKey
PRUPMQDVNFQIQW-KGENOOAVSA-NSynonyms
(2E)N(4(acetylamino)phenyl)2cyano3(3ethoxy4((4fluorobenzyl)oxy)phenyl)prop2enamide
(E)N(4ACETAMIDOPHENYL)2CYANO3(3ETHOXY4((4FLUOROPHENYL)METHOXY)PHENYL)PROP2ENAMIDE
CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)NC(=O)C)OCC3=CC=C(C=C3)F
CCOc1cc(ccc1OCc1ccc(cc1)F)C=C(C(=O)Nc1ccc(cc1)NC(=O)C)C#N
InChI=1SC27H24FN3O4c1334261520(61325(26)3517194722(28)8519)1421(1629)27(33)312411923(101224)3018(2)32h415H317H212H3(H3032)(H3133)b2114+
MFCD03155166
ZINC000001439465
ZINC01439465
ZINC1439465
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