Vitas-M small molecule compound
5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-N-(2-methyl-4-oxo-6,7-dihydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(5H)-yl)furan-2-carboxamide
Catalog ID
STK303660
SMILES O=C(c1ccc(o1)Cn1nc(c(c1C)[N+](=O)[O-])C)Nn1c(C)nc2c(c1=O)c1CCCc1s2
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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 C21H20N6O5S MW 468.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N6O5S/c1-10-18(27(30)31)11(2)25(23-10)9-13-7-8-15(32-13)19(28)24-26-12(3)22-20-17(21(26)29)14-5-4-6-16(14)33-20/h7-8H,4-6,9H2,1-3H3,(H,24,28)InChIKey
MLGAHUSBUIHKHY-UHFFFAOYSA-NSynonyms
1005704-62-01005704620
5((35dimethyl4nitro1Hpyrazol1yl)methyl)N(2methyl4oxo67dihydro4Hcyclopenta(45)thieno(23d)pyrimidin3(5H)yl)furan2carboxamide
5((35dimethyl4nitropyrazol1yl)methyl)N(3methyl1oxo78dihydro6Hcyclopenta(23)thieno(24d)pyrimidin2yl)furan2carboxamide
CC1=C(C(=NN1CC2=CC=C(O2)C(=O)NN3C(=NC4=C(C3=O)C5=C(S4)CCC5)C)C)(N+)(=O)(O)
InChI=1SC21H20N6O5Sc11018(27(30)31)11(2)25(2310)9137815(3213)19(28)242612(3)222017(21(26)29)1454616(14)3320h78H469H213H3(H2428)
MFCD04044162
O=C(c1ccc(o1)Cn1nc(c(c1C)(N+)(=O)(O))C)Nn1c(C)nc2c(c1=O)c1CCCc1s2
ZINC000002778042
ZINC02778042
ZINC2778042
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