Vitas-M small molecule compound
ethyl (2E)-2-{3,5-dichloro-2-[2-(2-methoxyphenoxy)ethoxy]benzylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK013984
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)/c(=C\c1cc(Cl)cc(c1OCCOc1ccccc1OC)Cl)/s2
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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 C32H28Cl2N2O6S MW 639.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H28Cl2N2O6S/c1-4-40-31(38)27-19(2)35-32-36(28(27)20-10-6-5-7-11-20)30(37)26(43-32)17-21-16-22(33)18-23(34)29(21)42-15-14-41-25-13-9-8-12-24(25)39-3/h5-13,16-18,28H,4,14-15H2,1-3H3/b26-17+InChIKey
RQFZZGUMAPXESJ-YZSQISJMSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)c(=Cc1cc(Cl)cc(c1OCCOc1ccccc1OC)Cl)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3)C(=O)C(=CC4=CC(=CC(=C4OCCOC5=CC=CC=C5OC)Cl)Cl)S2)C
ethyl(2E)2((35dichloro2(2(2methoxyphenoxy)ethoxy)phenyl)methylidene)7methyl3oxo5phenyl5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2E)2(35DICHLORO2(2(2METHOXYPHENOXY)ETHOXY)BENZYLIDENE)7METHYL3OXO5PHENYL23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC32H28Cl2N2O6Sc144031(38)2719(2)353236(28(27)20106571120)30(37)26(4332)17211622(33)1823(34)29(21)421514412513981224(25)393h513161828H41415H213H3b2617+
MFCD03183902
STK013984
ZINC000097957916
ZINC000097957917
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