Vitas-M small molecule compound

(2E)-3-(3-methoxy-4-propoxyphenyl)-2-(1-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile

Catalog ID
STL331542
SMILES CCCOc1ccc(cc1OC)/C=C(/c1nc2c(n1C)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 C21H21N3O2 MW 347.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O2/c1-4-11-26-19-10-9-15(13-20(19)25-3)12-16(14-22)21-23-17-7-5-6-8-18(17)24(21)2/h5-10,12-13H,4,11H2,1-3H3/b16-12+
InChIKey
BGHWUXOJAWPQCK-FOWTUZBSSA-N
Synonyms
369392-78-9
(2E)3(3methoxy4propoxyphenyl)2(1methyl1Hbenzimidazol2yl)prop2enenitrile
(2E)3(3METHOXY4PROPOXYPHENYL)2(1METHYLBENZIMIDAZOL2YL)PROP2ENENITRILE
(E)3(3methoxy4propoxyphenyl)2(1methyl1Hbenzo(d)imidazol2yl)acrylonitrile
(E)3(3METHOXY4PROPOXYPHENYL)2(1METHYLBENZIMIDAZOL2YL)PROP2ENENITRILE
369392789
CCCOC1=C(C=C(C=C1)C=C(C#N)C2=NC3=CC=CC=C3N2C)OC
CCCOc1ccc(cc1OC)C=C(c1nc2c(n1C)cccc2)C#N
InChI=1SC21H21N3O2c1411261910915(1320(19)253)1216(1422)212317756818(17)24(21)2h5101213H411H213H3b1612+
MFCD02350333
ZINC000003899808
ZINC03899808
ZINC3899808

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Available files

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