Vitas-M small molecule compound
ethyl (2E)-2-{[5-(4-chlorophenyl)furan-2-yl]methylidene}-5-(3,4-dimethoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK673856
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)OC)c(=O)/c(=C\c1ccc(o1)c1ccc(cc1)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 C29H25ClN2O6S MW 565.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25ClN2O6S/c1-5-37-28(34)25-16(2)31-29-32(26(25)18-8-12-22(35-3)23(14-18)36-4)27(33)24(39-29)15-20-11-13-21(38-20)17-6-9-19(30)10-7-17/h6-15,26H,5H2,1-4H3/b24-15+InChIKey
WLPUDZUOBHGPBO-BUVRLJJBSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(c(c1)OC)OC)c(=O)c(=Cc1ccc(o1)c1ccc(cc1)Cl)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC(=C(C=C3)OC)OC)C(=O)C(=CC4=CC=C(O4)C5=CC=C(C=C5)Cl)S2)C
ethyl(2E)2((5(4chlorophenyl)furan2yl)methylidene)5(34dimethoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2E)2((5(4CHLOROPHENYL)FURAN2YL)METHYLIDENE)5(34DIMETHOXYPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC29H25ClN2O6Sc153728(34)2516(2)312932(26(25)1881222(353)23(1418)364)27(33)24(3929)1520111321(3820)176919(30)10717h61526H5H214H3b2415+
MFCD01155133
ZINC000006489109
ZINC000006489117
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