Vitas-M small molecule compound
2-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-9-methyl-7-(trifluoromethyl)-2,3-dihydropyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(1H)-one
Catalog ID
STK305367
SMILES COc1ccc(cc1Cn1ncc(c1)[N+](=O)[O-])C1NC(=O)c2c(N1)c1c(C)cc(nc1s2)C(F)(F)F
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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 C22H17F3N6O4S MW 518.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17F3N6O4S/c1-10-5-15(22(23,24)25)27-21-16(10)17-18(36-21)20(32)29-19(28-17)11-3-4-14(35-2)12(6-11)8-30-9-13(7-26-30)31(33)34/h3-7,9,19,28H,8H2,1-2H3,(H,29,32)InChIKey
XJTZMRWGPNQGDY-UHFFFAOYSA-NSynonyms
1005696-48-91005696489
2(4methoxy3((4nitro1Hpyrazol1yl)methyl)phenyl)9methyl7(trifluoromethyl)23dihydropyrido(3245)thieno(32d)pyrimidin4(1H)one
2(4methoxy3((4nitropyrazol1yl)methyl)phenyl)9methyl7(trifluoromethyl)23dihydro1Hpyrido(23)thieno(24d)pyrimidin4one
CC1=CC(=NC2=C1C3=C(S2)C(=O)NC(N3)C4=CC(=C(C=C4)OC)CN5C=C(C=N5)(N+)(=O)(O))C(F)(F)F
COc1ccc(cc1Cn1ncc(c1)(N+)(=O)(O))C1NC(=O)c2c(N1)c1c(C)cc(nc1s2)C(F)(F)F
InChI=1SC22H17F3N6O4Sc110515(22(2324)25)272116(10)1718(3621)20(32)2919(2817)113414(352)12(611)830913(72630)31(33)34h3791928H8H212H3(H2932)
MFCD04050052
ZINC000097945263
ZINC000097945264
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