Vitas-M small molecule compound
methyl (2E)-5-[4-(acetyloxy)-3-methoxyphenyl]-2-[3-methoxy-4-(pentyloxy)benzylidene]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK798174
SMILES CCCCCOc1ccc(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 C31H34N2O8S MW 594.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H34N2O8S/c1-7-8-9-14-40-22-12-10-20(15-24(22)37-4)16-26-29(35)33-28(27(30(36)39-6)18(2)32-31(33)42-26)21-11-13-23(41-19(3)34)25(17-21)38-5/h10-13,15-17,28H,7-9,14H2,1-6H3/b26-16+InChIKey
HXHAAUZSNPIZPV-WGOQTCKBSA-NSynonyms
CCCCCOC1=C(C=C(C=C1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OC)C4=CC(=C(C=C4)OC(=O)C)OC)OC
CCCCCOc1ccc(cc1OC)C=c1sc2=NC(=C(C(n2c1=O)c1ccc(c(c1)OC)OC(=O)C)C(=O)OC)C
InChI=1SC31H34N2O8Sc1789144022121020(1524(22)374)162629(35)3328(27(30(36)396)18(2)3231(33)4226)21111323(4119(3)34)25(1721)385h1013151728H7914H216H3b2616+
methyl(2E)5(4(acetyloxy)3methoxyphenyl)2(3methoxy4(pentyloxy)benzylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
METHYL(2E)5(4ACETYLOXY3METHOXYPHENYL)2((3METHOXY4PENTOXYPHENYL)METHYLIDENE)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
MFCD03417577
ZINC000100838360
ZINC000100838362
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Check stock on Vitas-MAvailable files
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