Vitas-M small molecule compound
methyl (2E)-2-[4-(difluoromethoxy)-3-methoxybenzylidene]-5-(1,5-dimethyl-1H-pyrazol-4-yl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK305681
SMILES COC(=O)C1=C(C)N=c2n(C1c1cnn(c1C)C)c(=O)/c(=C\c1ccc(c(c1)OC)OC(F)F)/s2
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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 C23H22F2N4O5S MW 504.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22F2N4O5S/c1-11-18(21(31)33-5)19(14-10-26-28(3)12(14)2)29-20(30)17(35-23(29)27-11)9-13-6-7-15(34-22(24)25)16(8-13)32-4/h6-10,19,22H,1-5H3/b17-9+InChIKey
WITNZCICPIELLT-RQZCQDPDSA-NSynonyms
1005642-79-41005642794
CC1=C(C(N2C(=O)C(=CC3=CC(=C(C=C3)OC(F)F)OC)SC2=N1)C4=C(N(N=C4)C)C)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1c1cnn(c1C)C)c(=O)c(=Cc1ccc(c(c1)OC)OC(F)F)s2
InChI=1SC23H22F2N4O5Sc11118(21(31)335)19(14102628(3)12(14)2)2920(30)17(3523(29)2711)9136715(3422(24)25)16(813)324h6101922H15H3b179+
methyl(2E)2((4(difluoromethoxy)3methoxyphenyl)methylidene)5(15dimethylpyrazol4yl)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
methyl(2E)2(4(difluoromethoxy)3methoxybenzylidene)5(15dimethyl1Hpyrazol4yl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
MFCD04045909
ZINC000013959693
ZINC000013959694
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