Vitas-M small molecule compound
2-(3-chloro-4-hydroxy-5-methoxyphenyl)-7-(2-methylbutan-2-yl)-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4-ol
Catalog ID
STK383968
SMILES COc1cc(cc(c1O)Cl)C1N=C(O)c2c(N1)sc1c2CCC(C1)C(CC)(C)C
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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 C22H27ClN2O3S MW 434.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27ClN2O3S/c1-5-22(2,3)12-6-7-13-16(10-12)29-21-17(13)20(27)24-19(25-21)11-8-14(23)18(26)15(9-11)28-4/h8-9,12,19,25-26H,5-7,10H2,1-4H3,(H,24,27)InChIKey
ZFTYTBXTSCPOKI-UHFFFAOYSA-NSynonyms
2(3chloro4hydroxy5methoxyphenyl)7(2methylbutan2yl)125678hexahydro(1)benzothieno(23d)pyrimidin4ol
2(3chloro4hydroxy5methoxyphenyl)7(2methylbutan2yl)235678hexahydro1H(1)benzothiolo(23d)pyrimidin4one
CCC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC(=C(C(=C4)Cl)O)OC
InChI=1SC22H27ClN2O3Sc1522(23)12671316(1012)292117(13)20(27)2419(2521)11814(23)18(26)15(911)284h8912192526H5710H214H3(H2427)
MFCD03837042
ZINC000008920827
ZINC000008920841
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