Vitas-M small molecule compound
methyl (2E)-5-[4-(acetyloxy)-3-methoxyphenyl]-7-methyl-3-oxo-2-(thiophen-2-ylmethylidene)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK798110
SMILES COC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)OC(=O)C)c(=O)/c(=C\c1cccs1)/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 C23H20N2O6S2 MW 484.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N2O6S2/c1-12-19(22(28)30-4)20(14-7-8-16(31-13(2)26)17(10-14)29-3)25-21(27)18(33-23(25)24-12)11-15-6-5-9-32-15/h5-11,20H,1-4H3/b18-11+InChIKey
BCCCKMZQUKPGND-WOJGMQOQSA-NSynonyms
CC1=C(C(N2C(=O)C(=CC3=CC=CS3)SC2=N1)C4=CC(=C(C=C4)OC(=O)C)OC)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)OC(=O)C)c(=O)c(=Cc1cccs1)s2
InChI=1SC23H20N2O6S2c11219(22(28)304)20(147816(3113(2)26)17(1014)293)2521(27)18(3323(25)2412)11156593215h51120H14H3b1811+
methyl(2E)5(4(acetyloxy)3methoxyphenyl)7methyl3oxo2(thiophen2ylmethylidene)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
methyl(2E)5(4acetyloxy3methoxyphenyl)7methyl3oxo2(thiophen2ylmethylidene)5H(13)thiazolo(32a)pyrimidine6carboxylate
MFCD03417343
ZINC000016700148
ZINC000016700150
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