Vitas-M small molecule compound
ethyl (2E)-5-[4-(acetyloxy)-3-methoxyphenyl]-7-methyl-3-oxo-2-[4-(prop-2-en-1-yloxy)benzylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK798834
SMILES C=CCOc1ccc(cc1)/C=c\1/sc2=NC(=C(C(n2c1=O)c1ccc(c(c1)OC)OC(=O)C)C(=O)OCC)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 C29H28N2O7S MW 548.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N2O7S/c1-6-14-37-21-11-8-19(9-12-21)15-24-27(33)31-26(20-10-13-22(38-18(4)32)23(16-20)35-5)25(28(34)36-7-2)17(3)30-29(31)39-24/h6,8-13,15-16,26H,1,7,14H2,2-5H3/b24-15+InChIKey
SYEIZGWKNWKXBF-BUVRLJJBSA-NSynonyms
C=CCOc1ccc(cc1)C=c1sc2=NC(=C(C(n2c1=O)c1ccc(c(c1)OC)OC(=O)C)C(=O)OCC)C
CCOC(=O)C1=C(N=C2N(C1C3=CC(=C(C=C3)OC(=O)C)OC)C(=O)C(=CC4=CC=C(C=C4)OCC=C)S2)C
ethyl(2E)5(4(acetyloxy)3methoxyphenyl)7methyl3oxo2(4(prop2en1yloxy)benzylidene)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2E)5(4acetyloxy3methoxyphenyl)7methyl3oxo2((4prop2enoxyphenyl)methylidene)5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC29H28N2O7Sc1614372111819(91221)152427(33)3126(20101322(3818(4)32)23(1620)355)25(28(34)3672)17(3)3029(31)3924h6813151626H1714H225H3b2415+
MFCD01162916
ZINC000100839443
ZINC000100839445
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