Vitas-M small molecule compound
(2E)-3-{4-[(2-chlorobenzyl)oxy]-3-methoxyphenyl}-2-cyano-N-(2,4,6-trimethylphenyl)prop-2-enamide
Catalog ID
STL383495
SMILES N#C/C(=C\c1ccc(c(c1)OC)OCc1ccccc1Cl)/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 C27H25ClN2O3 MW 460.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25ClN2O3/c1-17-11-18(2)26(19(3)12-17)30-27(31)22(15-29)13-20-9-10-24(25(14-20)32-4)33-16-21-7-5-6-8-23(21)28/h5-14H,16H2,1-4H3,(H,30,31)/b22-13+InChIKey
INEZGOWHSDOSML-LPYMAVHISA-NSynonyms
(2E)3(4((2chlorobenzyl)oxy)3methoxyphenyl)2cyanoN(246trimethylphenyl)prop2enamide
(E)3(4((2CHLOROPHENYL)METHOXY)3METHOXYPHENYL)2CYANON(246TRIMETHYLPHENYL)PROP2ENAMIDE
CC1=CC(=C(C(=C1)C)NC(=O)C(=CC2=CC(=C(C=C2)OCC3=CC=CC=C3Cl)OC)C#N)C
InChI=1SC27H25ClN2O3c1171118(2)26(19(3)1217)3027(31)22(1529)132091024(25(1420)324)331621756823(21)28h514H16H214H3(H3031)b2213+
MFCD03154964
N#CC(=Cc1ccc(c(c1)OC)OCc1ccccc1Cl)C(=O)Nc1c(C)cc(cc1C)C
ZINC000003231334
ZINC03231334
ZINC3231334
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