Vitas-M small molecule compound
7-(2-methylbutan-2-yl)-2-(6-nitro-1,3-benzodioxol-5-yl)-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4-ol
Catalog ID
STK383126
SMILES CCC(C1CCc2c(C1)sc1c2C(=NC(N1)c1cc2OCOc2cc1[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 C22H25N3O5S MW 443.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N3O5S/c1-4-22(2,3)11-5-6-12-17(7-11)31-21-18(12)20(26)23-19(24-21)13-8-15-16(30-10-29-15)9-14(13)25(27)28/h8-9,11,19,24H,4-7,10H2,1-3H3,(H,23,26)InChIKey
TVPAJBMMJAALFB-UHFFFAOYSA-NSynonyms
7(2methylbutan2yl)2(6nitro13benzodioxol5yl)125678hexahydro(1)benzothieno(23d)pyrimidin4ol
7(2methylbutan2yl)2(6nitro13benzodioxol5yl)235678hexahydro1H(1)benzothiolo(23d)pyrimidin4one
CCC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC5=C(C=C4(N+)(=O)(O))OCO5
CCC(C1CCc2c(C1)sc1c2C(=NC(N1)c1cc2OCOc2cc1(N+)(=O)(O))O)(C)C
InChI=1SC22H25N3O5Sc1422(23)11561217(711)312118(12)20(26)2319(2421)1381516(30102915)914(13)25(27)28h89111924H4710H213H3(H2326)
MFCD03103368
ZINC000015945740
ZINC000015945746
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