Vitas-M small molecule compound
2-(4-bromo-3-nitrophenyl)-7-(2-methylbutan-2-yl)-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4-ol
Catalog ID
STK383885
SMILES CCC(C1CCc2c(C1)sc1c2C(=NC(N1)c1ccc(c(c1)[N+](=O)[O-])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 C21H24BrN3O3S MW 478.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24BrN3O3S/c1-4-21(2,3)12-6-7-13-16(10-12)29-20-17(13)19(26)23-18(24-20)11-5-8-14(22)15(9-11)25(27)28/h5,8-9,12,18,24H,4,6-7,10H2,1-3H3,(H,23,26)InChIKey
ITULKGOXXIATSN-UHFFFAOYSA-NSynonyms
2(4bromo3nitrophenyl)7(2methylbutan2yl)125678hexahydro(1)benzothieno(23d)pyrimidin4ol
2(4bromo3nitrophenyl)7(2methylbutan2yl)235678hexahydro1H(1)benzothiolo(23d)pyrimidin4one
CCC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC(=C(C=C4)Br)(N+)(=O)(O)
CCC(C1CCc2c(C1)sc1c2C(=NC(N1)c1ccc(c(c1)(N+)(=O)(O))Br)O)(C)C
InChI=1SC21H24BrN3O3Sc1421(23)12671316(1012)292017(13)19(26)2318(2420)115814(22)15(911)25(27)28h589121824H46710H213H3(H2326)
MFCD03836497
ZINC000008919983
ZINC000008919993
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