Vitas-M small molecule compound
2-[(2,6-diethyl-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl]-N-(4-methoxy-2-nitrophenyl)acetamide
Catalog ID
STK309647
SMILES COc1ccc(c(c1)[N+](=O)[O-])NC(=O)CSc1nc2cn(nc2c(=O)n1CC)CC
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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 C18H20N6O5S MW 432.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N6O5S/c1-4-22-9-13-16(21-22)17(26)23(5-2)18(20-13)30-10-15(25)19-12-7-6-11(29-3)8-14(12)24(27)28/h6-9H,4-5,10H2,1-3H3,(H,19,25)InChIKey
RXXDFQZRNPAZDO-UHFFFAOYSA-NSynonyms
832139-66-92((26diethyl7oxo67dihydro2Hpyrazolo(43d)pyrimidin5yl)sulfanyl)N(4methoxy2nitrophenyl)acetamide
2(26diethyl7oxopyrazolo(43d)pyrimidin5yl)sulfanylN(4methoxy2nitrophenyl)acetamide
832139669
CCN1C=C2C(=N1)C(=O)N(C(=N2)SCC(=O)NC3=C(C=C(C=C3)OC)(N+)(=O)(O))CC
COc1ccc(c(c1)(N+)(=O)(O))NC(=O)CSc1nc2cn(nc2c(=O)n1CC)CC
InChI=1SC18H20N6O5Sc142291316(2122)17(26)23(52)18(2013)301015(25)19127611(293)814(12)24(27)28h69H4510H213H3(H1925)
MFCD04053152
ZINC000013960015
ZINC13960015
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