Vitas-M small molecule compound

(2E)-3-(2,5-dimethoxyphenyl)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)prop-2-enenitrile

Catalog ID
STL417577
SMILES COc1ccc(c(c1)/C=C(/c1[nH]c2c(n1)cc(c(c2)C)C)\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 C20H19N3O2 MW 333.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O2/c1-12-7-17-18(8-13(12)2)23-20(22-17)15(11-21)9-14-10-16(24-3)5-6-19(14)25-4/h5-10H,1-4H3,(H,22,23)/b15-9+
InChIKey
PPKKPRAKEFYEND-OQLLNIDSSA-N
Synonyms

(2E)3(25dimethoxyphenyl)2(56dimethyl1Hbenzimidazol2yl)prop2enenitrile
(E)3(25DIMETHOXYPHENYL)2(56DIMETHYL1HBENZIMIDAZOL2YL)PROP2ENENITRILE
CC1=CC2=C(C=C1C)N=C(N2)C(=CC3=C(C=CC(=C3)OC)OC)C#N
COc1ccc(c(c1)C=C(c1(nH)c2c(n1)cc(c(c2)C)C)C#N)OC
InChI=1SC20H19N3O2c11271718(813(12)2)2320(2217)15(1121)9141016(243)5619(14)254h510H14H3(H2223)b159+
MFCD06630164
ZINC000004810738
ZINC04810738
ZINC4810738

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Available files

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