Vitas-M small molecule compound
(2E)-2-cyano-3-{3-ethoxy-4-[(4-fluorobenzyl)oxy]phenyl}-N-(2,4,6-trimethylphenyl)prop-2-enamide
Catalog ID
STL383498
SMILES CCOc1cc(ccc1OCc1ccc(cc1)F)/C=C(/C(=O)Nc1c(C)cc(cc1C)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 C28H27FN2O3 MW 458.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27FN2O3/c1-5-33-26-15-22(8-11-25(26)34-17-21-6-9-24(29)10-7-21)14-23(16-30)28(32)31-27-19(3)12-18(2)13-20(27)4/h6-15H,5,17H2,1-4H3,(H,31,32)/b23-14+InChIKey
OKDKJGNRTRYENN-OEAKJJBVSA-NSynonyms
(2E)2cyano3(3ethoxy4((4fluorobenzyl)oxy)phenyl)N(246trimethylphenyl)prop2enamide
(E)2CYANO3(3ETHOXY4((4FLUOROPHENYL)METHOXY)PHENYL)N(246TRIMETHYLPHENYL)PROP2ENAMIDE
CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=C(C=C(C=C2C)C)C)OCC3=CC=C(C=C3)F
CCOc1cc(ccc1OCc1ccc(cc1)F)C=C(C(=O)Nc1c(C)cc(cc1C)C)C#N
InChI=1SC28H27FN2O3c1533261522(81125(26)3417216924(29)10721)1423(1630)28(32)312719(3)1218(2)1320(27)4h615H517H214H3(H3132)b2314+
MFCD03155001
ZINC000003231368
ZINC03231368
ZINC3231368
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