Vitas-M small molecule compound

(2E)-2-(1H-benzimidazol-2-yl)-3-[1-(4-methoxyphenyl)-1H-pyrrol-2-yl]prop-2-enenitrile

Catalog ID
STK082010
SMILES COc1ccc(cc1)n1cccc1/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 C21H16N4O MW 340.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N4O/c1-26-18-10-8-16(9-11-18)25-12-4-5-17(25)13-15(14-22)21-23-19-6-2-3-7-20(19)24-21/h2-13H,1H3,(H,23,24)/b15-13+
InChIKey
KMHYMXPMEHGEHC-FYWRMAATSA-N
Synonyms
444657-45-8
(2E)2(1HBENZIMIDAZOL2YL)3(1(4METHOXYPHENYL)1HPYRROL2YL)PROP2ENENITRILE
(E)2(1HBENZIMIDAZOL2YL)3(1(4METHOXYPHENYL)PYRROL2YL)PROP2ENENITRILE
(E)2(1Hbenzo(d)imidazol2yl)3(1(4methoxyphenyl)1Hpyrrol2yl)acrylonitrile
444657458
COC1=CC=C(C=C1)N2C=CC=C2C=C(C#N)C3=NC4=CC=CC=C4N3
COc1ccc(cc1)n1cccc1C=C(c1nc2c((nH)1)cccc2)C#N
InChI=1SC21H16N4Oc1261810816(91118)25124517(25)1315(1422)212319623720(19)2421h213H1H3(H2324)b1513+
MFCD02773693
STK082010
ZINC000003909200
ZINC03909200
ZINC3909200

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Available files

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