Vitas-M small molecule compound
7-(difluoromethyl)-2-{5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}-9-phenyl-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one
Catalog ID
STK302802
SMILES O=C1NC(Nc2c1sc1c2c(cc(n1)C(F)F)c1ccccc1)c1ccc(o1)Cn1nc(c(c1C)[N+](=O)[O-])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 C26H20F2N6O4S MW 550.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20F2N6O4S/c1-12-21(34(36)37)13(2)33(32-12)11-15-8-9-18(38-15)24-30-20-19-16(14-6-4-3-5-7-14)10-17(23(27)28)29-26(19)39-22(20)25(35)31-24/h3-10,23-24,30H,11H2,1-2H3,(H,31,35)InChIKey
DNJPQTBSYXNNIH-UHFFFAOYSA-NSynonyms
1005576-32-81005576328
7(difluoromethyl)2(5((35dimethyl4nitro1Hpyrazol1yl)methyl)furan2yl)9phenyl23dihydropyrido(3245)thieno(32d)pyrimidin4(1H)one
7(difluoromethyl)2(5((35dimethyl4nitropyrazol1yl)methyl)furan2yl)9phenyl23dihydro1Hpyrido(23)thieno(24d)pyrimidin4one
CC1=C(C(=NN1CC2=CC=C(O2)C3NC4=C(C(=O)N3)SC5=C4C(=CC(=N5)C(F)F)C6=CC=CC=C6)C)(N+)(=O)(O)
InChI=1SC26H20F2N6O4Sc11221(34(36)37)13(2)33(3212)11158918(3815)2430201916(146435714)1017(23(27)28)2926(19)3922(20)25(35)3124h310232430H11H212H3(H3135)
MFCD04048830
O=C1NC(Nc2c1sc1c2c(cc(n1)C(F)F)c1ccccc1)c1ccc(o1)Cn1nc(c(c1C)(N+)(=O)(O))C
ZINC000002743640
ZINC000097948049
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.