Vitas-M small molecule compound
2-methylpropyl (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
STK798980
SMILES CCCCCOc1ccc(cc1)/C=c\1/sc2=NC(=C(C(n2c1=O)c1ccc(c(c1)OC)OC(=O)C)C(=O)OCC(C)C)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 C33H38N2O7S MW 606.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H38N2O7S/c1-7-8-9-16-40-25-13-10-23(11-14-25)17-28-31(37)35-30(24-12-15-26(42-22(5)36)27(18-24)39-6)29(21(4)34-33(35)43-28)32(38)41-19-20(2)3/h10-15,17-18,20,30H,7-9,16,19H2,1-6H3/b28-17+InChIKey
IHXWXBUBFNGEFQ-OGLMXYFKSA-NSynonyms
2methylpropyl(2E)5(4(acetyloxy)3methoxyphenyl)7methyl3oxo2(4(pentyloxy)benzylidene)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
2METHYLPROPYL(2E)5(4ACETYLOXY3METHOXYPHENYL)7METHYL3OXO2((4PENTOXYPHENYL)METHYLIDENE)5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
CCCCCOC1=CC=C(C=C1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OCC(C)C)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)C)C
InChI=1SC33H38N2O7Sc1789164025131023(111425)172831(37)3530(24121526(4222(5)36)27(1824)396)29(21(4)3433(35)4328)32(38)411920(2)3h101517182030H791619H216H3b2817+
MFCD03417959
ZINC000100839622
ZINC000100839623
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.