Vitas-M small molecule compound
7-tert-butyl-2-(4-hydroxy-3,5-dimethoxyphenyl)-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
Catalog ID
STK382126
SMILES COc1cc(cc(c1O)OC)C1NC(=O)c2c(N1)sc1c2CCC(C1)C(C)(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 C22H28N2O4S MW 416.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N2O4S/c1-22(2,3)12-6-7-13-16(10-12)29-21-17(13)20(26)23-19(24-21)11-8-14(27-4)18(25)15(9-11)28-5/h8-9,12,19,24-25H,6-7,10H2,1-5H3,(H,23,26)InChIKey
JPQRPAZEXJSMNR-UHFFFAOYSA-NSynonyms
7tertbutyl2(4hydroxy35dimethoxyphenyl)235678hexahydro(1)benzothieno(23d)pyrimidin4(1H)one
7tertbutyl2(4hydroxy35dimethoxyphenyl)235678hexahydro1H(1)benzothiolo(23d)pyrimidin4one
CC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC(=C(C(=C4)OC)O)OC
InChI=1SC22H28N2O4Sc122(23)12671316(1012)292117(13)20(26)2319(2421)11814(274)18(25)15(911)285h8912192425H6710H215H3(H2326)
MFCD02915438
ZINC000003647359
ZINC000003647365
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