Vitas-M small molecule compound
(2E)-1-[2-(methylsulfanyl)-1H-benzimidazol-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
Catalog ID
STK807178
SMILES COc1cc(/C=C/C(=O)n2c(SC)nc3c2cccc3)cc(c1OC)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 C20H20N2O4S MW 384.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N2O4S/c1-24-16-11-13(12-17(25-2)19(16)26-3)9-10-18(23)22-15-8-6-5-7-14(15)21-20(22)27-4/h5-12H,1-4H3/b10-9+InChIKey
HQUFTXGXHPRWLX-MDZDMXLPSA-NSynonyms
(2E)1(2(methylsulfanyl)1Hbenzimidazol1yl)3(345trimethoxyphenyl)prop2en1one
(E)1(2METHYLSULFANYLBENZIMIDAZOL1YL)3(345TRIMETHOXYPHENYL)PROP2EN1ONE
COC1=CC(=CC(=C1OC)OC)C=CC(=O)N2C3=CC=CC=C3N=C2SC
COc1cc(C=CC(=O)n2c(SC)nc3c2cccc3)cc(c1OC)OC
InChI=1SC20H20N2O4Sc124161113(1217(252)19(16)263)91018(23)2215865714(15)2120(22)274h512H14H3b109+
MFCD03621337
ZINC000004275654
ZINC04275654
ZINC4275654
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