Vitas-M small molecule compound
ethyl (2Z)-5-[4-(acetyloxy)-3-methoxyphenyl]-2-(4-butoxy-3-methoxybenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK799069
SMILES CCCCOc1ccc(cc1OC)/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 C31H34N2O8S MW 594.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H34N2O8S/c1-7-9-14-40-22-12-10-20(15-24(22)37-5)16-26-29(35)33-28(21-11-13-23(41-19(4)34)25(17-21)38-6)27(30(36)39-8-2)18(3)32-31(33)42-26/h10-13,15-17,28H,7-9,14H2,1-6H3/b26-16-InChIKey
LXXLLOVYMYAKDP-QQXSKIMKSA-NSynonyms
CCCCOC1=C(C=C(C=C1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OCC)C4=CC(=C(C=C4)OC(=O)C)OC)OC
CCCCOc1ccc(cc1OC)C=c1sc2=NC(=C(C(n2c1=O)c1ccc(c(c1)OC)OC(=O)C)C(=O)OCC)C
ethyl(2Z)5(4(acetyloxy)3methoxyphenyl)2(4butoxy3methoxybenzylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)5(4ACETYLOXY3METHOXYPHENYL)2((4BUTOXY3METHOXYPHENYL)METHYLIDENE)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC31H34N2O8Sc179144022121020(1524(22)375)162629(35)3328(21111323(4119(4)34)25(1721)386)27(30(36)3982)18(3)3231(33)4226h1013151728H7914H216H3b2616
MFCD03462247
ZINC000097946235
ZINC000097946236
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.