Vitas-M small molecule compound
ethyl (2E)-5-[4-(difluoromethoxy)phenyl]-2-[(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK305960
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(F)F)c(=O)/c(=C\c1cn(nc1C)C)/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 C23H22F2N4O4S MW 488.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22F2N4O4S/c1-5-32-21(31)18-13(3)26-23-29(19(18)14-6-8-16(9-7-14)33-22(24)25)20(30)17(34-23)10-15-11-28(4)27-12(15)2/h6-11,19,22H,5H2,1-4H3/b17-10+InChIKey
AKVIFRFKMDWJMD-LICLKQGHSA-NSynonyms
1005697-20-01005697200
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(F)F)c(=O)c(=Cc1cn(nc1C)C)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)OC(F)F)C(=O)C(=CC4=CN(N=C4C)C)S2)C
ethyl(2E)5(4(difluoromethoxy)phenyl)2((13dimethyl1Hpyrazol4yl)methylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2E)5(4(difluoromethoxy)phenyl)2((13dimethylpyrazol4yl)methylidene)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC23H22F2N4O4Sc153221(31)1813(3)262329(19(18)146816(9714)3322(24)25)20(30)17(3423)10151128(4)2712(15)2h6111922H5H214H3b1710+
MFCD04046387
ZINC000013959747
ZINC000013959748
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