Vitas-M small molecule compound
2-(3-bromo-5-chloro-2-hydroxyphenyl)-7-(2-methylbutan-2-yl)-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4-ol
Catalog ID
STK383869
SMILES CCC(C1CCc2c(C1)sc1c2C(=NC(N1)c1cc(Cl)cc(c1O)Br)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 C21H24BrClN2O2S MW 483.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24BrClN2O2S/c1-4-21(2,3)10-5-6-12-15(7-10)28-20-16(12)19(27)24-18(25-20)13-8-11(23)9-14(22)17(13)26/h8-10,18,25-26H,4-7H2,1-3H3,(H,24,27)InChIKey
IVWULXATDPVHCT-UHFFFAOYSA-NSynonyms
2(3bromo5chloro2hydroxyphenyl)7(2methylbutan2yl)125678hexahydro(1)benzothieno(23d)pyrimidin4ol
2(3bromo5chloro2hydroxyphenyl)7(2methylbutan2yl)235678hexahydro1H(1)benzothiolo(23d)pyrimidin4one
CCC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC(=CC(=C4O)Br)Cl
InChI=1SC21H24BrClN2O2Sc1421(23)10561215(710)282016(12)19(27)2418(2520)13811(23)914(22)17(13)26h810182526H47H213H3(H2427)
MFCD03836488
ZINC000008919872
ZINC000008919885
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