Vitas-M small molecule compound
2-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-7-(2-methylbutan-2-yl)-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4-ol
Catalog ID
STK383966
SMILES CCC(C1CCc2c(C1)sc1c2C(=NC(N1)c1ccc(o1)c1ccc(cc1Cl)[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 C25H26ClN3O4S MW 500.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26ClN3O4S/c1-4-25(2,3)13-5-7-16-20(11-13)34-24-21(16)23(30)27-22(28-24)19-10-9-18(33-19)15-8-6-14(29(31)32)12-17(15)26/h6,8-10,12-13,22,28H,4-5,7,11H2,1-3H3,(H,27,30)InChIKey
ARQISLFCDLMEBJ-UHFFFAOYSA-NSynonyms
2(5(2chloro4nitrophenyl)furan2yl)7(2methylbutan2yl)125678hexahydro(1)benzothieno(23d)pyrimidin4ol
2(5(2chloro4nitrophenyl)furan2yl)7(2methylbutan2yl)235678hexahydro1H(1)benzothiolo(23d)pyrimidin4one
CCC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC=C(O4)C5=C(C=C(C=C5)(N+)(=O)(O))Cl
CCC(C1CCc2c(C1)sc1c2C(=NC(N1)c1ccc(o1)c1ccc(cc1Cl)(N+)(=O)(O))O)(C)C
InChI=1SC25H26ClN3O4Sc1425(23)13571620(1113)342421(16)23(30)2722(2824)1910918(3319)158614(29(31)32)1217(15)26h681012132228H45711H213H3(H2730)
MFCD03837040
ZINC000008920789
ZINC000008920804
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