Vitas-M small molecule compound
ethyl (2E)-5-(1,3-benzodioxol-5-yl)-2-(3-hydroxy-4-methoxybenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL388407
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc3c(c1)OCO3)c(=O)/c(=C\c1ccc(c(c1)O)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 C25H22N2O7S MW 494.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N2O7S/c1-4-32-24(30)21-13(2)26-25-27(22(21)15-6-8-18-19(11-15)34-12-33-18)23(29)20(35-25)10-14-5-7-17(31-3)16(28)9-14/h5-11,22,28H,4,12H2,1-3H3/b20-10+InChIKey
VGHQWVGSDHKKKL-KEBDBYFISA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc3c(c1)OCO3)c(=O)c(=Cc1ccc(c(c1)O)OC)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC4=C(C=C3)OCO4)C(=O)C(=CC5=CC(=C(C=C5)OC)O)S2)C
ethyl(2E)5(13benzodioxol5yl)2((3hydroxy4methoxyphenyl)methylidene)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2E)5(13benzodioxol5yl)2(3hydroxy4methoxybenzylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC25H22N2O7Sc143224(30)2113(2)262527(22(21)15681819(1115)34123318)23(29)20(3525)10145717(313)16(28)914h5112228H412H213H3b2010+
MFCD05149813
ZINC000006227071
ZINC000006227085
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