Vitas-M small molecule compound
2-[4-(2,4-dinitrophenoxy)-3-ethoxyphenyl]-7-(2-methylbutan-2-yl)-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4-ol
Catalog ID
STK383919
SMILES CCOc1cc(ccc1Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C1N=C(O)c2c(N1)sc1c2CCC(C1)C(CC)(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 C29H32N4O7S MW 580.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N4O7S/c1-5-29(3,4)17-8-10-19-24(14-17)41-28-25(19)27(34)30-26(31-28)16-7-11-22(23(13-16)39-6-2)40-21-12-9-18(32(35)36)15-20(21)33(37)38/h7,9,11-13,15,17,26,31H,5-6,8,10,14H2,1-4H3,(H,30,34)InChIKey
GGTNJFFKTJXNLZ-UHFFFAOYSA-NSynonyms
2(4(24dinitrophenoxy)3ethoxyphenyl)7(2methylbutan2yl)125678hexahydro(1)benzothieno(23d)pyrimidin4ol
2(4(24dinitrophenoxy)3ethoxyphenyl)7(2methylbutan2yl)235678hexahydro1H(1)benzothiolo(23d)pyrimidin4one
CCC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC(=C(C=C4)OC5=C(C=C(C=C5)(N+)(=O)(O))(N+)(=O)(O))OCC
CCOc1cc(ccc1Oc1ccc(cc1(N+)(=O)(O))(N+)(=O)(O))C1N=C(O)c2c(N1)sc1c2CCC(C1)C(CC)(C)C
InChI=1SC29H32N4O7Sc1529(34)178101924(1417)412825(19)27(34)3026(3128)1671122(23(1316)3962)402112918(32(35)36)1520(21)33(37)38h79111315172631H5681014H214H3(H3034)
MFCD03836617
ZINC000102156022
ZINC000102156035
Check stock
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Check stock on Vitas-MAvailable files
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