Vitas-M small molecule compound
ethyl (2E)-2-{3-[(2,4-difluorophenoxy)methyl]-4-methoxybenzylidene}-5-(4-hydroxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL175986
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)O)c(=O)/c(=C\c1ccc(c(c1)COc1ccc(cc1F)F)OC)/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 C31H26F2N2O6S MW 592.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H26F2N2O6S/c1-4-40-30(38)27-17(2)34-31-35(28(27)19-6-9-22(36)10-7-19)29(37)26(42-31)14-18-5-11-24(39-3)20(13-18)16-41-25-12-8-21(32)15-23(25)33/h5-15,28,36H,4,16H2,1-3H3/b26-14+InChIKey
VYQWAHDPIOPURN-VULFUBBASA-NSynonyms
512814-88-9512814889
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)O)c(=O)c(=Cc1ccc(c(c1)COc1ccc(cc1F)F)OC)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)O)C(=O)C(=CC4=CC(=C(C=C4)OC)COC5=C(C=C(C=C5)F)F)S2)C
ethyl(2E)2((3((24difluorophenoxy)methyl)4methoxyphenyl)methylidene)5(4hydroxyphenyl)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2E)2(3((24difluorophenoxy)methyl)4methoxybenzylidene)5(4hydroxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL2(3((24DIFLUOROPHENOXY)METHYL)4METHOXYBENZYLIDENE)5(4HYDROXYPHENYL)7METHYL3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC31H26F2N2O6Sc144030(38)2717(2)343135(28(27)196922(36)10719)29(37)26(4231)141851124(393)20(1318)16412512821(32)1523(25)33h5152836H416H213H3b2614+
MFCD03467009
ZINC000008455080
ZINC000008455081
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