Vitas-M small molecule compound
(2E)-1-[2-(ethylsulfanyl)-1H-benzimidazol-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
Catalog ID
STK807073
SMILES CCSc1nc2c(n1C(=O)/C=C/c1cc(OC)c(c(c1)OC)OC)cccc2
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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 C21H22N2O4S MW 398.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O4S/c1-5-28-21-22-15-8-6-7-9-16(15)23(21)19(24)11-10-14-12-17(25-2)20(27-4)18(13-14)26-3/h6-13H,5H2,1-4H3/b11-10+InChIKey
LBEVAJFFERYVSL-ZHACJKMWSA-NSynonyms
(2E)1(2(ethylsulfanyl)1Hbenzimidazol1yl)3(345trimethoxyphenyl)prop2en1one
(E)1(2ETHYLSULFANYLBENZIMIDAZOL1YL)3(345TRIMETHOXYPHENYL)PROP2EN1ONE
CCSC1=NC2=CC=CC=C2N1C(=O)C=CC3=CC(=C(C(=C3)OC)OC)OC
CCSc1nc2c(n1C(=O)C=Cc1cc(OC)c(c(c1)OC)OC)cccc2
InChI=1SC21H22N2O4Sc1528212215867916(15)23(21)19(24)1110141217(252)20(274)18(1314)263h613H5H214H3b1110+
MFCD03621166
ZINC000004264146
ZINC04264146
ZINC4264146
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