Vitas-M small molecule compound
2-(5-bromo-3-chloro-2-hydroxyphenyl)-7-methyl-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4-ol
Catalog ID
STK384840
SMILES CC1CCc2c(C1)sc1c2C(=NC(N1)c1cc(Br)cc(c1O)Cl)O
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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 C17H16BrClN2O2S MW 427.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16BrClN2O2S/c1-7-2-3-9-12(4-7)24-17-13(9)16(23)20-15(21-17)10-5-8(18)6-11(19)14(10)22/h5-7,15,21-22H,2-4H2,1H3,(H,20,23)InChIKey
BBSWTDNLAKNTGU-UHFFFAOYSA-NSynonyms
2(5bromo3chloro2hydroxyphenyl)7methyl125678hexahydro(1)benzothieno(23d)pyrimidin4ol
2(5bromo3chloro2hydroxyphenyl)7methyl235678hexahydro1H(1)benzothiolo(23d)pyrimidin4one
CC1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC(=CC(=C4O)Cl)Br
InChI=1SC17H16BrClN2O2Sc1723912(47)241713(9)16(23)2015(2117)1058(18)611(19)14(10)22h57152122H24H21H3(H2023)
MFCD11853304
ZINC000015947591
ZINC000015947597
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