Vitas-M small molecule compound
9-(2-methylbutan-2-yl)-2-[2-(3-nitro-1H-pyrazol-1-yl)ethyl]-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Catalog ID
STL395621
SMILES CCC(C1CCc2c(C1)sc1c2c2nc(nn2cn1)CCn1ccc(n1)[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/c1-4-21(2,3)13-5-6-14-15(11-13)31-20-18(14)19-23-16(24-27(19)12-22-20)7-9-26-10-8-17(25-26)28(29)30/h8,10,12-13H,4-7,9,11H2,1-3H3InChIKey
NOZKCQWYQKWHMY-UHFFFAOYSA-NSynonyms
1005702-00-01005702000
9(2methylbutan2yl)2(2(3nitro1Hpyrazol1yl)ethyl)891011tetrahydro(1)benzothieno(32e)(124)triazolo(15c)pyrimidine
CCC(C)(C)C1CCC2=C(C1)SC3=C2C4=NC(=NN4C=N3)CCN5C=CC(=N5)(N+)(=O)(O)
CCC(C1CCc2c(C1)sc1c2c2nc(nn2cn1)CCn1ccc(n1)(N+)(=O)(O))(C)C
InChI=1SC21H25N7O2Sc1421(23)13561415(1113)312018(14)192316(2427(19)122220)792610817(2526)28(29)30h8101213H47911H213H3
MFCD04132913
ZINC000002798598
ZINC000002798599
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