Vitas-M small molecule compound
2-(5-hydroxy-2-nitrophenyl)-7-(2-methylbutan-2-yl)-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4-ol
Catalog ID
STK383250
SMILES CCC(C1CCc2c(C1)sc1c2C(=NC(N1)c1cc(O)ccc1[N+](=O)[O-])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 C21H25N3O4S MW 415.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N3O4S/c1-4-21(2,3)11-5-7-13-16(9-11)29-20-17(13)19(26)22-18(23-20)14-10-12(25)6-8-15(14)24(27)28/h6,8,10-11,18,23,25H,4-5,7,9H2,1-3H3,(H,22,26)InChIKey
PAXGCLVHXYMVGB-UHFFFAOYSA-NSynonyms
2(5hydroxy2nitrophenyl)7(2methylbutan2yl)125678hexahydro(1)benzothieno(23d)pyrimidin4ol
2(5hydroxy2nitrophenyl)7(2methylbutan2yl)235678hexahydro1H(1)benzothiolo(23d)pyrimidin4one
CCC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=C(C=CC(=C4)O)(N+)(=O)(O)
CCC(C1CCc2c(C1)sc1c2C(=NC(N1)c1cc(O)ccc1(N+)(=O)(O))O)(C)C
InChI=1SC21H25N3O4Sc1421(23)11571316(911)292017(13)19(26)2218(2320)141012(25)6815(14)24(27)28h681011182325H4579H213H3(H2226)
MFCD03835580
ZINC000022635047
ZINC000022635063
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