Vitas-M small molecule compound
(2E)-3-{3-ethoxy-4-[(3-methylbenzyl)oxy]phenyl}-2-[(4-methylphenyl)carbonyl]prop-2-enenitrile
Catalog ID
STK083440
SMILES CCOc1cc(ccc1OCc1cccc(c1)C)/C=C(/C(=O)c1ccc(cc1)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 C27H25NO3 MW 411.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25NO3/c1-4-30-26-16-21(10-13-25(26)31-18-22-7-5-6-20(3)14-22)15-24(17-28)27(29)23-11-8-19(2)9-12-23/h5-16H,4,18H2,1-3H3/b24-15+InChIKey
LDKFTFCBPOQWLB-BUVRLJJBSA-NSynonyms
(2E)3(3ETHOXY4((3METHYLBENZYL)OXY)PHENYL)2((4METHYLPHENYL)CARBONYL)PROP2ENENITRILE
(E)3(3ETHOXY4((3METHYLPHENYL)METHOXY)PHENYL)2(4METHYLBENZOYL)PROP2ENENITRILE
CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)C2=CC=C(C=C2)C)OCC3=CC=CC(=C3)C
CCOc1cc(ccc1OCc1cccc(c1)C)C=C(C(=O)c1ccc(cc1)C)C#N
InChI=1SC27H25NO3c1430261621(101325(26)31182275620(3)1422)1524(1728)27(29)2311819(2)91223h516H418H213H3b2415+
MFCD08679480
STK083440
ZINC000004672261
ZINC04672261
ZINC4672261
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