Vitas-M small molecule compound
2-methylpropyl (2E)-5-[4-(acetyloxy)-3-methoxyphenyl]-2-(4-methoxybenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK799381
SMILES COc1cc(ccc1OC(=O)C)C1C(=C(C)N=c2n1c(=O)/c(=C\c1ccc(cc1)OC)/s2)C(=O)OCC(C)C
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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 C29H30N2O7S MW 550.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N2O7S/c1-16(2)15-37-28(34)25-17(3)30-29-31(26(25)20-9-12-22(38-18(4)32)23(14-20)36-6)27(33)24(39-29)13-19-7-10-21(35-5)11-8-19/h7-14,16,26H,15H2,1-6H3/b24-13+InChIKey
CIMIYGCJQFHDAO-ZMOGYAJESA-NSynonyms
2methylpropyl(2E)5(4(acetyloxy)3methoxyphenyl)2(4methoxybenzylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
2methylpropyl(2E)5(4acetyloxy3methoxyphenyl)2((4methoxyphenyl)methylidene)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
CC1=C(C(N2C(=O)C(=CC3=CC=C(C=C3)OC)SC2=N1)C4=CC(=C(C=C4)OC(=O)C)OC)C(=O)OCC(C)C
COc1cc(ccc1OC(=O)C)C1C(=C(C)N=c2n1c(=O)c(=Cc1ccc(cc1)OC)s2)C(=O)OCC(C)C
InChI=1SC29H30N2O7Sc116(2)153728(34)2517(3)302931(26(25)2091222(3818(4)32)23(1420)366)27(33)24(3929)131971021(355)11819h7141626H15H216H3b2413+
MFCD03418566
ZINC000100840063
ZINC000100840065
Check stock
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Check stock on Vitas-MAvailable files
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