Vitas-M small molecule compound
ethyl (2E)-2-{4-methoxy-3-[(2,4,6-trichlorophenoxy)methyl]benzylidene}-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL175746
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)/c(=C\c1ccc(c(c1)COc1c(Cl)cc(cc1Cl)Cl)OC)/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 C31H25Cl3N2O5S MW 643.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H25Cl3N2O5S/c1-4-40-30(38)26-17(2)35-31-36(27(26)19-8-6-5-7-9-19)29(37)25(42-31)13-18-10-11-24(39-3)20(12-18)16-41-28-22(33)14-21(32)15-23(28)34/h5-15,27H,4,16H2,1-3H3/b25-13+InChIKey
HHHKQIMAIQEMDG-DHRITJCHSA-NSynonyms
514218-65-6514218656
CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1)c(=O)c(=Cc1ccc(c(c1)COc1c(Cl)cc(cc1Cl)Cl)OC)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3)C(=O)C(=CC4=CC(=C(C=C4)OC)COC5=C(C=C(C=C5Cl)Cl)Cl)S2)C
ethyl(2E)2((4methoxy3((246trichlorophenoxy)methyl)phenyl)methylidene)7methyl3oxo5phenyl5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2E)2(4methoxy3((246trichlorophenoxy)methyl)benzylidene)7methyl3oxo5phenyl23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL2(4METHOXY3((246TRICHLOROPHENOXY)METHYL)BENZYLIDENE)7METHYL3OXO5PHENYL23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC31H25Cl3N2O5Sc144030(38)2617(2)353136(27(26)198657919)29(37)25(4231)1318101124(393)20(1218)16412822(33)1421(32)1523(28)34h51527H416H213H3b2513+
MFCD03757182
ZINC000008432565
ZINC000008432566
Check stock
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Check stock on Vitas-MAvailable files
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