Vitas-M small molecule compound

(2E)-2-cyano-N-[2-(1H-indol-3-yl)ethyl]-3-{3-methoxy-4-[2-oxo-2-(phenylamino)ethoxy]phenyl}prop-2-enamide

Catalog ID
STK183190
SMILES N#C/C(=C\c1ccc(c(c1)OC)OCC(=O)Nc1ccccc1)/C(=O)NCCc1c[nH]c2c1cccc2

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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 C29H26N4O4 MW 494.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26N4O4/c1-36-27-16-20(11-12-26(27)37-19-28(34)33-23-7-3-2-4-8-23)15-22(17-30)29(35)31-14-13-21-18-32-25-10-6-5-9-24(21)25/h2-12,15-16,18,32H,13-14,19H2,1H3,(H,31,35)(H,33,34)/b22-15+
InChIKey
MQGOKTMDKJRRGX-PXLXIMEGSA-N
Synonyms

(2E)2CYANON(2(1HINDOL3YL)ETHYL)3(3METHOXY4(2OXO2(PHENYLAMINO)ETHOXY)PHENYL)PROP2ENAMIDE
(2E)2CYANON(2INDOL3YLETHYL)3(3METHOXY4((NPHENYLCARBAMOYL)METHOXY)PHENYL)PROP2ENAMIDE
(E)3(4(2ANILINO2OXOETHOXY)3METHOXYPHENYL)2CYANON(2(1HINDOL3YL)ETHYL)PROP2ENAMIDE
COC1=C(C=CC(=C1)C=C(C#N)C(=O)NCCC2=CNC3=CC=CC=C32)OCC(=O)NC4=CC=CC=C4
InChI=1SC29H26N4O4c136271620(111226(27)371928(34)33237324823)1522(1730)29(35)311413211832251065924(21)25h21215161832H131419H21H3(H3135)(H3334)b2215+
MFCD03063435
N#CC(=Cc1ccc(c(c1)OC)OCC(=O)Nc1ccccc1)C(=O)NCCc1c(nH)c2c1cccc2
ZINC000009263063
ZINC09263063
ZINC9263063

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Available files

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