Vitas-M small molecule compound

(2E)-2-(1H-benzimidazol-2-yl)-3-[3-ethoxy-4-(prop-2-en-1-yloxy)phenyl]prop-2-enenitrile

Catalog ID
STK287640
SMILES C=CCOc1ccc(cc1OCC)/C=C(/c1nc2c([nH]1)cccc2)\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 C21H19N3O2 MW 345.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O2/c1-3-11-26-19-10-9-15(13-20(19)25-4-2)12-16(14-22)21-23-17-7-5-6-8-18(17)24-21/h3,5-10,12-13H,1,4,11H2,2H3,(H,23,24)/b16-12+
InChIKey
IODWMCBZTUCSRP-FOWTUZBSSA-N
Synonyms

(2E)2(1Hbenzimidazol2yl)3(3ethoxy4(prop2en1yloxy)phenyl)prop2enenitrile
(2E)2BENZIMIDAZOL2YL3(3ETHOXY4PROP2ENYLOXYPHENYL)PROP2ENENITRILE
(E)2(1HBENZIMIDAZOL2YL)3(3ETHOXY4PROP2ENOXYPHENYL)PROP2ENENITRILE
3(4ALLYLOXY3ETHOXYPHENYL)2(1HBENZOIMIDAZOL2YL)ACRYLONITRILE
C=CCOc1ccc(cc1OCC)C=C(c1nc2c((nH)1)cccc2)C#N
CCOC1=C(C=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)OCC=C
InChI=1SC21H19N3O2c1311261910915(1320(19)2542)1216(1422)212317756818(17)2421h35101213H1411H22H3(H2324)b1612+
MFCD03997211
ZINC000004453127
ZINC04453127
ZINC4453127

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Available files

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