Vitas-M small molecule compound
ethyl (2E)-2-{[5-(2-chlorophenyl)furan-2-yl]methylidene}-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK797820
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)/c(=C\c1ccc(o1)c1ccccc1Cl)/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 C28H23ClN2O5S MW 535.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23ClN2O5S/c1-4-35-27(33)24-16(2)30-28-31(25(24)17-9-11-18(34-3)12-10-17)26(32)23(37-28)15-19-13-14-22(36-19)20-7-5-6-8-21(20)29/h5-15,25H,4H2,1-3H3/b23-15+InChIKey
DXEZVNBAJCFYTB-HZHRSRAPSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)OC)c(=O)c(=Cc1ccc(o1)c1ccccc1Cl)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)OC)C(=O)C(=CC4=CC=C(O4)C5=CC=CC=C5Cl)S2)C
ethyl(2E)2((5(2chlorophenyl)furan2yl)methylidene)5(4methoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ethyl(2E)2((5(2chlorophenyl)furan2yl)methylidene)5(4methoxyphenyl)7methyl3oxo5H(13)thiazolo(32a)pyrimidine6carboxylate
InChI=1SC28H23ClN2O5Sc143527(33)2416(2)302831(25(24)1791118(343)121017)26(32)23(3728)1519131422(3619)20756821(20)29h51525H4H213H3b2315+
MFCD03417184
ZINC000100837934
ZINC000100837937
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