Vitas-M small molecule compound
ethyl (2E)-5-[4-(dimethylamino)phenyl]-2-{4-methoxy-3-[(2,4,6-trichlorophenoxy)methyl]benzylidene}-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL175967
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)N(C)C)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 C33H30Cl3N3O5S MW 687.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H30Cl3N3O5S/c1-6-43-32(41)28-18(2)37-33-39(29(28)20-8-10-23(11-9-20)38(3)4)31(40)27(45-33)14-19-7-12-26(42-5)21(13-19)17-44-30-24(35)15-22(34)16-25(30)36/h7-16,29H,6,17H2,1-5H3/b27-14+InChIKey
DOJXWPPCCDQACA-MZJWZYIUSA-NSynonyms
512814-96-9512814969
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)N(C)C)c(=O)c(=Cc1ccc(c(c1)COc1c(Cl)cc(cc1Cl)Cl)OC)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)N(C)C)C(=O)C(=CC4=CC(=C(C=C4)OC)COC5=C(C=C(C=C5Cl)Cl)Cl)S2)C
ethyl(2E)5(4(dimethylamino)phenyl)2((4methoxy3((246trichlorophenoxy)methyl)phenyl)methylidene)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2E)5(4(dimethylamino)phenyl)2(4methoxy3((246trichlorophenoxy)methyl)benzylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL5(4(DIMETHYLAMINO)PHENYL)2(4METHOXY3((246TRICHLOROPHENOXY)METHYL)BENZYLIDENE)7METHYL3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC33H30Cl3N3O5Sc164332(41)2818(2)373339(29(28)2081023(11920)38(3)4)31(40)27(4533)141971226(425)21(1319)17443024(35)1522(34)1625(30)36h71629H617H215H3b2714+
MFCD03467032
ZINC000008450911
ZINC000008450912
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