Vitas-M small molecule compound
ethyl (2E)-5-[4-(difluoromethoxy)phenyl]-2-(furan-3-ylmethylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK305882
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(F)F)c(=O)/c(=C\c1cocc1)/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 C22H18F2N2O5S MW 460.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18F2N2O5S/c1-3-30-20(28)17-12(2)25-22-26(19(27)16(32-22)10-13-8-9-29-11-13)18(17)14-4-6-15(7-5-14)31-21(23)24/h4-11,18,21H,3H2,1-2H3/b16-10+InChIKey
IQEZCWVWSYNBFE-MHWRWJLKSA-NSynonyms
678543-36-7678543367
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(F)F)c(=O)c(=Cc1cocc1)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)OC(F)F)C(=O)C(=CC4=COC=C4)S2)C
ethyl(2E)5(4(difluoromethoxy)phenyl)2(furan3ylmethylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2E)5(4(difluoromethoxy)phenyl)2(furan3ylmethylidene)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC22H18F2N2O5Sc133020(28)1712(2)252226(19(27)16(3222)101389291113)18(17)144615(7514)3121(23)24h4111821H3H212H3b1610+
MFCD04046391
ZINC000013959740
ZINC000013959741
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