Vitas-M small molecule compound
methyl (2E)-2-{3-[(2,4-difluorophenoxy)methyl]-4-methoxybenzylidene}-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL174829
SMILES COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)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/c1-17-27(30(37)40-4)28(19-6-9-22(38-2)10-7-19)35-29(36)26(42-31(35)34-17)14-18-5-11-24(39-3)20(13-18)16-41-25-12-8-21(32)15-23(25)33/h5-15,28H,16H2,1-4H3/b26-14+InChIKey
OWVUQMDWEGIYON-VULFUBBASA-NSynonyms
445025-51-4445025514
CC1=C(C(N2C(=O)C(=CC3=CC(=C(C=C3)OC)COC4=C(C=C(C=C4)F)F)SC2=N1)C5=CC=C(C=C5)OC)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)c(=Cc1ccc(c(c1)COc1ccc(cc1F)F)OC)s2
InChI=1SC31H26F2N2O6Sc11727(30(37)404)28(196922(382)10719)3529(36)26(4231(35)3417)141851124(393)20(1318)16412512821(32)1523(25)33h51528H16H214H3b2614+
methyl(2E)2((3((24difluorophenoxy)methyl)4methoxyphenyl)methylidene)5(4methoxyphenyl)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
methyl(2E)2(3((24difluorophenoxy)methyl)4methoxybenzylidene)5(4methoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
METHYL2(3((24DIFLUOROPHENOXY)METHYL)4METHOXYBENZYLIDENE)5(4METHOXYPHENYL)7METHYL3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
MFCD03073951
ZINC000008454381
ZINC000008454382
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