Vitas-M small molecule compound
7-(2-methylbutan-2-yl)-2-[(E)-2-(2-nitrophenyl)ethenyl]-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4-ol
Catalog ID
STK383874
SMILES CCC(C1CCc2c(C1)sc1c2C(=NC(N1)/C=C/c1ccccc1[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 C23H27N3O3S MW 425.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27N3O3S/c1-4-23(2,3)15-10-11-16-18(13-15)30-22-20(16)21(27)24-19(25-22)12-9-14-7-5-6-8-17(14)26(28)29/h5-9,12,15,19,25H,4,10-11,13H2,1-3H3,(H,24,27)/b12-9+InChIKey
DPEVXLPYRRHXBG-FMIVXFBMSA-NSynonyms
7(2methylbutan2yl)2((E)2(2nitrophenyl)ethenyl)125678hexahydro(1)benzothieno(23d)pyrimidin4ol
7(2methylbutan2yl)2((E)2(2nitrophenyl)ethenyl)235678hexahydro1H(1)benzothiolo(23d)pyrimidin4one
CCC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)NC(N3)C=CC4=CC=CC=C4(N+)(=O)(O)
CCC(C1CCc2c(C1)sc1c2C(=NC(N1)C=Cc1ccccc1(N+)(=O)(O))O)(C)C
InChI=1SC23H27N3O3Sc1423(23)1510111618(1315)302220(16)21(27)2419(2522)12914756817(14)26(28)29h5912151925H4101113H213H3(H2427)b129+
MFCD03836490
ZINC000004554587
ZINC000004554590
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