Vitas-M small molecule compound
3-(3-tert-butyl-1-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-ethoxy-N,N-dipentylbenzenesulfonamide
Catalog ID
STK537908
SMILES CCCCCN(S(=O)(=O)c1ccc(c(c1)c1nc2c(c(=O)[nH]1)n(nc2C(C)(C)C)C)OCC)CCCCC
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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 C28H43N5O4S MW 545.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H43N5O4S/c1-8-11-13-17-33(18-14-12-9-2)38(35,36)20-15-16-22(37-10-3)21(19-20)26-29-23-24(27(34)30-26)32(7)31-25(23)28(4,5)6/h15-16,19H,8-14,17-18H2,1-7H3,(H,29,30,34)InChIKey
TVBYWLQRNMEIRZ-UHFFFAOYSA-NSynonyms
3(3(tertbutyl)1methyl7oxo67dihydro1Hpyrazolo(43d)pyrimidin5yl)4ethoxyNNdipentylbenzenesulfonamide
3(3TERTBUTYL1METHYL7OXO4HPYRAZOLO(43D)PYRIMIDIN5YL)4ETHOXYNNDIPENTYLBENZENESULFONAMIDE
3(3tertbutyl1methyl7oxo67dihydro1Hpyrazolo(43d)pyrimidin5yl)4ethoxyNNdipentylbenzenesulfonamide
CCCCCN(CCCCC)S(=O)(=O)C1=CC(=C(C=C1)OCC)C2=NC(=O)C3=C(N2)C(=NN3C)C(C)(C)C
CCCCCN(S(=O)(=O)c1ccc(c(c1)c1nc2c(c(=O)(nH)1)n(nc2C(C)(C)C)C)OCC)CCCCC
InChI=1SC28H43N5O4Sc1811131733(18141292)38(3536)20151622(37103)21(1920)26292324(27(34)3026)32(7)3125(23)28(45)6h151619H8141718H217H3(H293034)
MFCD02164136
ZINC000097950376
ZINC97950376
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