Vitas-M small molecule compound
ethyl (2E)-5-[4-(difluoromethoxy)phenyl]-7-methyl-2-[(1-methyl-1H-pyrazol-4-yl)methylidene]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL401580
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(F)F)c(=O)/c(=C\c1cnn(c1)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 C22H20F2N4O4S MW 474.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20F2N4O4S/c1-4-31-20(30)17-12(2)26-22-28(18(17)14-5-7-15(8-6-14)32-21(23)24)19(29)16(33-22)9-13-10-25-27(3)11-13/h5-11,18,21H,4H2,1-3H3/b16-9+InChIKey
NWYLANOJOYJMAW-CXUHLZMHSA-NSynonyms
1005648-31-61005648316
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(F)F)c(=O)c(=Cc1cnn(c1)C)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)OC(F)F)C(=O)C(=CC4=CN(N=C4)C)S2)C
ethyl(2E)5(4(difluoromethoxy)phenyl)7methyl2((1methyl1Hpyrazol4yl)methylidene)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2E)5(4(difluoromethoxy)phenyl)7methyl2((1methylpyrazol4yl)methylidene)3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC22H20F2N4O4Sc143120(30)1712(2)262228(18(17)145715(8614)3221(23)24)19(29)16(3322)913102527(3)1113h5111821H4H213H3b169+
MFCD04046397
ZINC000022710273
ZINC000022710277
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