Vitas-M small molecule compound
ethyl (2E)-5-[4-(acetyloxy)-3-methoxyphenyl]-2-(4-fluorobenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK798552
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)OC(=O)C)c(=O)/c(=C\c1ccc(cc1)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 C26H23FN2O6S MW 510.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23FN2O6S/c1-5-34-25(32)22-14(2)28-26-29(24(31)21(36-26)12-16-6-9-18(27)10-7-16)23(22)17-8-11-19(35-15(3)30)20(13-17)33-4/h6-13,23H,5H2,1-4H3/b21-12+InChIKey
KSCQMMRQJZWNCV-CIAFOILYSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)OC(=O)C)c(=O)c(=Cc1ccc(cc1)F)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC(=C(C=C3)OC(=O)C)OC)C(=O)C(=CC4=CC=C(C=C4)F)S2)C
ethyl(2E)5(4(acetyloxy)3methoxyphenyl)2(4fluorobenzylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2E)5(4acetyloxy3methoxyphenyl)2((4fluorophenyl)methylidene)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC26H23FN2O6Sc153425(32)2214(2)282629(24(31)21(3626)12166918(27)10716)23(22)1781119(3515(3)30)20(1317)334h61323H5H214H3b2112+
MFCD01162912
ZINC000016700349
ZINC000016700352
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