Vitas-M small molecule compound
2-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-9-(2-methylbutan-2-yl)-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Catalog ID
STK309150
SMILES CCC(C1CCc2c(C1)sc1c2c2nc(nn2cn1)Cn1nc(c(c1C)[N+](=O)[O-])C)(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 C22H27N7O2S MW 453.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N7O2S/c1-6-22(4,5)14-7-8-15-16(9-14)32-21-18(15)20-24-17(26-28(20)11-23-21)10-27-13(3)19(29(30)31)12(2)25-27/h11,14H,6-10H2,1-5H3InChIKey
WIQQDNDQGUVFFN-UHFFFAOYSA-NSynonyms
1005702-75-91005702759
2((35dimethyl4nitro1Hpyrazol1yl)methyl)9(2methylbutan2yl)891011tetrahydro(1)benzothieno(32e)(124)triazolo(15c)pyrimidine
CCC(C)(C)C1CCC2=C(C1)SC3=C2C4=NC(=NN4C=N3)CN5C(=C(C(=N5)C)(N+)(=O)(O))C
CCC(C1CCc2c(C1)sc1c2c2nc(nn2cn1)Cn1nc(c(c1C)(N+)(=O)(O))C)(C)C
InChI=1SC22H27N7O2Sc1622(45)14781516(914)322118(15)202417(2628(20)112321)102713(3)19(29(30)31)12(2)2527h1114H610H215H3
MFCD04133662
ZINC000002799843
ZINC000002799844
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