Vitas-M small molecule compound
ethyl (2E)-2-(3-fluorobenzylidene)-5-(4-hydroxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK958164
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)O)c(=O)/c(=C\c1cccc(c1)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 C23H19FN2O4S MW 438.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19FN2O4S/c1-3-30-22(29)19-13(2)25-23-26(20(19)15-7-9-17(27)10-8-15)21(28)18(31-23)12-14-5-4-6-16(24)11-14/h4-12,20,27H,3H2,1-2H3/b18-12+InChIKey
BABJRTWFMGHNSW-LDADJPATSA-NSynonyms
353789-07-8353789078
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)O)c(=O)c(=Cc1cccc(c1)F)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)O)C(=O)C(=CC4=CC(=CC=C4)F)S2)C
ethyl(2E)2((3fluorophenyl)methylidene)5(4hydroxyphenyl)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2E)2(3fluorobenzylidene)5(4hydroxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC23H19FN2O4Sc133022(29)1913(2)252326(20(19)157917(27)10815)21(28)18(3123)121454616(24)1114h4122027H3H212H3b1812+
MFCD02174120
ZINC000008432637
ZINC000008432638
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