Vitas-M small molecule compound
ethyl (2E)-2-[4-(acetyloxy)-3-methoxybenzylidene]-5-(4-chlorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK048044
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)Cl)c(=O)/c(=C\c1ccc(c(c1)OC)OC(=O)C)/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 C26H23ClN2O6S MW 527.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23ClN2O6S/c1-5-34-25(32)22-14(2)28-26-29(23(22)17-7-9-18(27)10-8-17)24(31)21(36-26)13-16-6-11-19(35-15(3)30)20(12-16)33-4/h6-13,23H,5H2,1-4H3/b21-13+InChIKey
GGCIWCMRHAMHNC-FYJGNVAPSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)Cl)c(=O)c(=Cc1ccc(c(c1)OC)OC(=O)C)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)Cl)C(=O)C(=CC4=CC(=C(C=C4)OC(=O)C)OC)S2)C
ethyl(2E)2((4acetyloxy3methoxyphenyl)methylidene)5(4chlorophenyl)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2E)2(4(ACETYLOXY)3METHOXYBENZYLIDENE)5(4CHLOROPHENYL)7METHYL3OXO23DIHYDRO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC26H23ClN2O6Sc153425(32)2214(2)282629(23(22)177918(27)10817)24(31)21(3626)131661119(3515(3)30)20(1216)334h61323H5H214H3b2113+
MFCD01458326
STK048044
ZINC000101437782
ZINC000101437786
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