Vitas-M small molecule compound
ethyl (2E)-5-[4-(difluoromethoxy)phenyl]-2-[(1,5-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
STL402211
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(F)F)c(=O)/c(=C\c1cnn(c1C)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)18-12(2)27-23-29(19(18)14-6-8-16(9-7-14)33-22(24)25)20(30)17(34-23)10-15-11-26-28(4)13(15)3/h6-11,19,22H,5H2,1-4H3/b17-10+InChIKey
YDYNZOAJTDVJHW-LICLKQGHSA-NSynonyms
1005648-45-21005648452
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(F)F)c(=O)c(=Cc1cnn(c1C)C)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)OC(F)F)C(=O)C(=CC4=C(N(N=C4)C)C)S2)C
ethyl(2E)5(4(difluoromethoxy)phenyl)2((15dimethyl1Hpyrazol4yl)methylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2E)5(4(difluoromethoxy)phenyl)2((15dimethylpyrazol4yl)methylidene)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC23H22F2N4O4Sc153221(31)1812(2)272329(19(18)146816(9714)3322(24)25)20(30)17(3423)1015112628(4)13(15)3h6111922H5H214H3b1710+
MFCD04046388
ZINC000022746319
ZINC000022746323
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