Vitas-M small molecule compound
9-(2-methylbutan-2-yl)-2-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Catalog ID
STK309127
SMILES CCC(C1CCc2c(C1)sc1c2c2nc(nn2cn1)Cn1nc(cc1C)[N+](=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 C21H25N7O2S MW 439.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N7O2S/c1-5-21(3,4)13-6-7-14-15(9-13)31-20-18(14)19-23-16(24-27(19)11-22-20)10-26-12(2)8-17(25-26)28(29)30/h8,11,13H,5-7,9-10H2,1-4H3InChIKey
MEASZEVNPOJFIP-UHFFFAOYSA-NSynonyms
1005702-68-01005702680
9(2methylbutan2yl)2((5methyl3nitro1Hpyrazol1yl)methyl)891011tetrahydro(1)benzothieno(32e)(124)triazolo(15c)pyrimidine
CCC(C)(C)C1CCC2=C(C1)SC3=C2C4=NC(=NN4C=N3)CN5C(=CC(=N5)(N+)(=O)(O))C
CCC(C1CCc2c(C1)sc1c2c2nc(nn2cn1)Cn1nc(cc1C)(N+)(=O)(O))(C)C
InChI=1SC21H25N7O2Sc1521(34)13671415(913)312018(14)192316(2427(19)112220)102612(2)817(2526)28(29)30h81113H57910H214H3
MFCD04133598
ZINC000002799748
ZINC000002799749
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