Vitas-M small molecule compound
(2E)-2-cyano-3-{4-[(4-fluorobenzyl)oxy]-3-methoxyphenyl}-N-(2,4,6-trimethylphenyl)prop-2-enamide
Catalog ID
STL383497
SMILES N#C/C(=C\c1ccc(c(c1)OC)OCc1ccc(cc1)F)/C(=O)Nc1c(C)cc(cc1C)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 C27H25FN2O3 MW 444.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25FN2O3/c1-17-11-18(2)26(19(3)12-17)30-27(31)22(15-29)13-21-7-10-24(25(14-21)32-4)33-16-20-5-8-23(28)9-6-20/h5-14H,16H2,1-4H3,(H,30,31)/b22-13+InChIKey
BHAFUQGUYPDGDJ-LPYMAVHISA-NSynonyms
(2E)2cyano3(4((4fluorobenzyl)oxy)3methoxyphenyl)N(246trimethylphenyl)prop2enamide
(E)2CYANO3(4((4FLUOROPHENYL)METHOXY)3METHOXYPHENYL)N(246TRIMETHYLPHENYL)PROP2ENAMIDE
CC1=CC(=C(C(=C1)C)NC(=O)C(=CC2=CC(=C(C=C2)OCC3=CC=C(C=C3)F)OC)C#N)C
InChI=1SC27H25FN2O3c1171118(2)26(19(3)1217)3027(31)22(1529)132171024(25(1421)324)3316205823(28)9620h514H16H214H3(H3031)b2213+
MFCD03155132
N#CC(=Cc1ccc(c(c1)OC)OCc1ccc(cc1)F)C(=O)Nc1c(C)cc(cc1C)C
ZINC000003232185
ZINC03232185
ZINC3232185
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