Vitas-M small molecule compound
methyl (2E)-5-[4-(acetyloxy)phenyl]-2-(4-methoxybenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK726609
SMILES COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(=O)C)c(=O)/c(=C\c1ccc(cc1)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 C25H22N2O6S MW 478.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N2O6S/c1-14-21(24(30)32-4)22(17-7-11-19(12-8-17)33-15(2)28)27-23(29)20(34-25(27)26-14)13-16-5-9-18(31-3)10-6-16/h5-13,22H,1-4H3/b20-13+InChIKey
LQMFTHZICVXBDA-DEDYPNTBSA-NSynonyms
324564-17-2(E)methyl5(4acetoxyphenyl)2(4methoxybenzylidene)7methyl3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
324564172
CC1=C(C(N2C(=O)C(=CC3=CC=C(C=C3)OC)SC2=N1)C4=CC=C(C=C4)OC(=O)C)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC(=O)C)c(=O)c(=Cc1ccc(cc1)OC)s2
InChI=1SC25H22N2O6Sc11421(24(30)324)22(1771119(12817)3315(2)28)2723(29)20(3425(27)2614)13165918(313)10616h51322H14H3b2013+
methyl(2E)5(4(acetyloxy)phenyl)2(4methoxybenzylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
METHYL(2E)5(4ACETYLOXYPHENYL)2((4METHOXYPHENYL)METHYLIDENE)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
MFCD01458887
ZINC000013775048
ZINC000013775051
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