Vitas-M small molecule compound

(2E)-2-(1H-benzimidazol-2-yl)-3-[2,5-dimethoxy-4-(pyrrolidin-1-yl)phenyl]prop-2-enenitrile

Catalog ID
STK020096
SMILES COc1cc(N2CCCC2)c(cc1/C=C(/c1nc2c([nH]1)cccc2)\C#N)OC

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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 C22H22N4O2 MW 374.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O2/c1-27-20-13-19(26-9-5-6-10-26)21(28-2)12-15(20)11-16(14-23)22-24-17-7-3-4-8-18(17)25-22/h3-4,7-8,11-13H,5-6,9-10H2,1-2H3,(H,24,25)/b16-11+
InChIKey
BWZPRPICTJXEDK-LFIBNONCSA-N
Synonyms

(2E)2(1HBENZIMIDAZOL2YL)3(25DIMETHOXY4(PYRROLIDIN1YL)PHENYL)PROP2ENENITRILE
(E)2(1HBENZIMIDAZOL2YL)3(25DIMETHOXY4PYRROLIDIN1YLPHENYL)PROP2ENENITRILE
(E)2(1Hbenzo(d)imidazol2yl)3(25dimethoxy4(pyrrolidin1yl)phenyl)acrylonitrile
COC1=CC(=C(C=C1C=C(C#N)C2=NC3=CC=CC=C3N2)OC)N4CCCC4
COc1cc(N2CCCC2)c(cc1C=C(c1nc2c((nH)1)cccc2)C#N)OC
InChI=1SC22H22N4O2c127201319(269561026)21(282)1215(20)1116(1423)222417734818(17)2522h34781113H56910H212H3(H2425)b1611+
MFCD03923603
STK020096
ZINC000013016254
ZINC13016254

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Available files

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