Vitas-M small molecule compound
ethyl (2E)-5-[4-(acetyloxy)-3-methoxyphenyl]-7-methyl-3-oxo-2-[4-(pentyloxy)benzylidene]-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK798545
SMILES CCCCCOc1ccc(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 C31H34N2O7S MW 578.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H34N2O7S/c1-6-8-9-16-39-23-13-10-21(11-14-23)17-26-29(35)33-28(22-12-15-24(40-20(4)34)25(18-22)37-5)27(30(36)38-7-2)19(3)32-31(33)41-26/h10-15,17-18,28H,6-9,16H2,1-5H3/b26-17+InChIKey
CXTAMADBBMPYSZ-YZSQISJMSA-NSynonyms
CCCCCOC1=CC=C(C=C1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OCC)C4=CC(=C(C=C4)OC(=O)C)OC
CCCCCOc1ccc(cc1)C=c1sc2=NC(=C(C(n2c1=O)c1ccc(c(c1)OC)OC(=O)C)C(=O)OCC)C
ethyl(2E)5(4(acetyloxy)3methoxyphenyl)7methyl3oxo2(4(pentyloxy)benzylidene)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2E)5(4ACETYLOXY3METHOXYPHENYL)7METHYL3OXO2((4PENTOXYPHENYL)METHYLIDENE)5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC31H34N2O7Sc1689163923131021(111423)172629(35)3328(22121524(4020(4)34)25(1822)375)27(30(36)3872)19(3)3231(33)4126h1015171828H6916H215H3b2617+
MFCD03417748
ZINC000100839009
ZINC000100839011
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.