Vitas-M small molecule compound
2-methylpropyl (2E)-5-[4-(acetyloxy)-3-ethoxyphenyl]-2-[4-(benzyloxy)benzylidene]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK799372
SMILES CCOc1cc(ccc1OC(=O)C)C1C(=C(C)N=c2n1c(=O)/c(=C\c1ccc(cc1)OCc1ccccc1)/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 C36H36N2O7S MW 640.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H36N2O7S/c1-6-42-30-19-27(14-17-29(30)45-24(5)39)33-32(35(41)44-20-22(2)3)23(4)37-36-38(33)34(40)31(46-36)18-25-12-15-28(16-13-25)43-21-26-10-8-7-9-11-26/h7-19,22,33H,6,20-21H2,1-5H3/b31-18+InChIKey
CXHXGKWSVSWHTI-FDAWAROLSA-NSynonyms
2methylpropyl(2E)5(4(acetyloxy)3ethoxyphenyl)2(4(benzyloxy)benzylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
2methylpropyl(2E)5(4acetyloxy3ethoxyphenyl)7methyl3oxo2((4phenylmethoxyphenyl)methylidene)5H(13)thiazolo(32a)pyrimidine6carboxylate
CCOC1=C(C=CC(=C1)C2C(=C(N=C3N2C(=O)C(=CC4=CC=C(C=C4)OCC5=CC=CC=C5)S3)C)C(=O)OCC(C)C)OC(=O)C
CCOc1cc(ccc1OC(=O)C)C1C(=C(C)N=c2n1c(=O)c(=Cc1ccc(cc1)OCc1ccccc1)s2)C(=O)OCC(C)C
InChI=1SC36H36N2O7Sc1642301927(141729(30)4524(5)39)3332(35(41)442022(2)3)23(4)373638(33)34(40)31(4636)1825121528(161325)432126108791126h7192233H62021H215H3b3118+
MFCD03418561
ZINC000150399110
ZINC000150399115
Check stock
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Check stock on Vitas-MAvailable files
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