Vitas-M small molecule compound
2-methylpropyl (2Z)-5-[4-(acetyloxy)-3-methoxyphenyl]-2-(4-tert-butylbenzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK799119
SMILES COc1cc(ccc1OC(=O)C)C1C(=C(C)N=c2n1c(=O)/c(=C/c1ccc(cc1)C(C)(C)C)/s2)C(=O)OCC(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 C32H36N2O6S MW 576.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H36N2O6S/c1-18(2)17-39-30(37)27-19(3)33-31-34(28(27)22-11-14-24(40-20(4)35)25(16-22)38-8)29(36)26(41-31)15-21-9-12-23(13-10-21)32(5,6)7/h9-16,18,28H,17H2,1-8H3/b26-15-InChIKey
DQEMSLTVGVXJBG-YSMPRRRNSA-NSynonyms
2methylpropyl(2Z)5(4(acetyloxy)3methoxyphenyl)2(4tertbutylbenzylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
2METHYLPROPYL(2Z)5(4ACETYLOXY3METHOXYPHENYL)2((4TERTBUTYLPHENYL)METHYLIDENE)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
CC1=C(C(N2C(=O)C(=CC3=CC=C(C=C3)C(C)(C)C)SC2=N1)C4=CC(=C(C=C4)OC(=O)C)OC)C(=O)OCC(C)C
COc1cc(ccc1OC(=O)C)C1C(=C(C)N=c2n1c(=O)c(=Cc1ccc(cc1)C(C)(C)C)s2)C(=O)OCC(C)C
InChI=1SC32H36N2O6Sc118(2)173930(37)2719(3)333134(28(27)22111424(4020(4)35)25(1622)388)29(36)26(4131)152191223(131021)32(56)7h9161828H17H218H3b2615
MFCD03462289
ZINC000002671865
ZINC000002671867
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.