Vitas-M small molecule compound
(2E)-1-(1H-benzimidazol-1-yl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
Catalog ID
STK417532
SMILES COc1cc(/C=C/C(=O)n2cnc3c2cccc3)ccc1OC
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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 C18H16N2O3 MW 308.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N2O3/c1-22-16-9-7-13(11-17(16)23-2)8-10-18(21)20-12-19-14-5-3-4-6-15(14)20/h3-12H,1-2H3/b10-8+InChIKey
VCSJJFCIVRIZHA-CSKARUKUSA-NSynonyms
(2E)1(1Hbenzimidazol1yl)3(34dimethoxyphenyl)prop2en1one
(2E)1BENZIMIDAZOLYL3(34DIMETHOXYPHENYL)PROP2EN1ONE
(E)1(BENZIMIDAZOL1YL)3(34DIMETHOXYPHENYL)PROP2EN1ONE
COC1=C(C=C(C=C1)C=CC(=O)N2C=NC3=CC=CC=C32)OC
COc1cc(C=CC(=O)n2cnc3c2cccc3)ccc1OC
InChI=1SC18H16N2O3c122169713(1117(16)232)81018(21)20121914534615(14)20h312H12H3b108+
MFCD01346029
ZINC000005527259
ZINC05527259
ZINC5527259
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