Vitas-M small molecule compound
2-(5-bromo-2-hydroxyphenyl)-7-(2-methylbutan-2-yl)-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4-ol
Catalog ID
STK383742
SMILES CCC(C1CCc2c(C1)sc1c2C(=NC(N1)c1cc(Br)ccc1O)O)(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 C21H25BrN2O2S MW 449.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25BrN2O2S/c1-4-21(2,3)11-5-7-13-16(9-11)27-20-17(13)19(26)23-18(24-20)14-10-12(22)6-8-15(14)25/h6,8,10-11,18,24-25H,4-5,7,9H2,1-3H3,(H,23,26)InChIKey
XTKDSGVCZBCGGC-UHFFFAOYSA-NSynonyms
2(5bromo2hydroxyphenyl)7(2methylbutan2yl)125678hexahydro(1)benzothieno(23d)pyrimidin4ol
2(5bromo2hydroxyphenyl)7(2methylbutan2yl)235678hexahydro1H(1)benzothiolo(23d)pyrimidin4one
CCC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=C(C=CC(=C4)Br)O
InChI=1SC21H25BrN2O2Sc1421(23)11571316(911)272017(13)19(26)2318(2420)141012(22)6815(14)25h681011182425H4579H213H3(H2326)
MFCD11853233
ZINC000015945716
ZINC000015945722
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