Vitas-M small molecule compound

(2Z)-N-benzyl-2-cyano-3-{3-ethoxy-4-[(4-methylbenzyl)oxy]phenyl}prop-2-enamide

Catalog ID
STK186515
SMILES CCOc1cc(ccc1OCc1ccc(cc1)C)/C=C(\C(=O)NCc1ccccc1)/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 C27H26N2O3 MW 426.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O3/c1-3-31-26-16-23(13-14-25(26)32-19-22-11-9-20(2)10-12-22)15-24(17-28)27(30)29-18-21-7-5-4-6-8-21/h4-16H,3,18-19H2,1-2H3,(H,29,30)/b24-15-
InChIKey
MWCAGJPFMWBMSO-IWIPYMOSSA-N
Synonyms

(2Z)NBENZYL2CYANO3(3ETHOXY4((4METHYLBENZYL)OXY)PHENYL)PROP2ENAMIDE
(Z)NBENZYL2CYANO3(3ETHOXY4((4METHYLPHENYL)METHOXY)PHENYL)PROP2ENAMIDE
CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NCC2=CC=CC=C2)OCC3=CC=C(C=C3)C
CCOc1cc(ccc1OCc1ccc(cc1)C)C=C(C(=O)NCc1ccccc1)C#N
InChI=1SC27H26N2O3c1331261623(131425(26)32192211920(2)101222)1524(1728)27(30)2918217546821h416H31819H212H3(H2930)b2415
MFCD02084674
ZINC000015012397
ZINC15012397

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Available files

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