Vitas-M small molecule compound
methyl (2E)-2-[2-(acetyloxy)benzylidene]-5-(3,4-dimethoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK701689
SMILES COC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)OC)c(=O)/c(=C\c1ccccc1OC(=O)C)/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 C26H24N2O7S MW 508.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24N2O7S/c1-14-22(25(31)34-5)23(17-10-11-19(32-3)20(12-17)33-4)28-24(30)21(36-26(28)27-14)13-16-8-6-7-9-18(16)35-15(2)29/h6-13,23H,1-5H3/b21-13+InChIKey
KGZHCPNMIXBPFU-FYJGNVAPSA-NSynonyms
(Z)methyl2(2acetoxybenzylidene)5(34dimethoxyphenyl)7methyl3oxo35dihydro2Hthiazolo(32a)pyrimidine6carboxylate
CC1=C(C(N2C(=O)C(=CC3=CC=CC=C3OC(=O)C)SC2=N1)C4=CC(=C(C=C4)OC)OC)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)OC)c(=O)c(=Cc1ccccc1OC(=O)C)s2
InChI=1SC26H24N2O7Sc11422(25(31)345)23(17101119(323)20(1217)334)2824(30)21(3626(28)2714)1316867918(16)3515(2)29h61323H15H3b2113+
methyl(2E)2((2acetyloxyphenyl)methylidene)5(34dimethoxyphenyl)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
methyl(2E)2(2(acetyloxy)benzylidene)5(34dimethoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
MFCD03088571
ZINC000017124906
ZINC000017124910
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