Vitas-M small molecule compound
methyl (2E)-5-[4-(acetyloxy)-3-methoxyphenyl]-2-[3-methoxy-4-(prop-2-en-1-yloxy)benzylidene]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK798728
SMILES C=CCOc1ccc(cc1OC)/C=c\1/sc2=NC(=C(C(n2c1=O)c1ccc(c(c1)OC)OC(=O)C)C(=O)OC)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 C29H28N2O8S MW 564.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28N2O8S/c1-7-12-38-20-10-8-18(13-22(20)35-4)14-24-27(33)31-26(25(28(34)37-6)16(2)30-29(31)40-24)19-9-11-21(39-17(3)32)23(15-19)36-5/h7-11,13-15,26H,1,12H2,2-6H3/b24-14+InChIKey
NEIWSRZRSPMGNG-ZVHZXABRSA-NSynonyms
C=CCOc1ccc(cc1OC)C=c1sc2=NC(=C(C(n2c1=O)c1ccc(c(c1)OC)OC(=O)C)C(=O)OC)C
CC1=C(C(N2C(=O)C(=CC3=CC(=C(C=C3)OCC=C)OC)SC2=N1)C4=CC(=C(C=C4)OC(=O)C)OC)C(=O)OC
InChI=1SC29H28N2O8Sc1712382010818(1322(20)354)142427(33)3126(25(28(34)376)16(2)3029(31)4024)1991121(3917(3)32)23(1519)365h711131526H112H226H3b2414+
methyl(2E)5(4(acetyloxy)3methoxyphenyl)2(3methoxy4(prop2en1yloxy)benzylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
methyl(2E)5(4acetyloxy3methoxyphenyl)2((3methoxy4prop2enoxyphenyl)methylidene)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
MFCD03417792
ZINC000100839309
ZINC000100839311
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