Vitas-M small molecule compound
ethyl (2E)-2-{[5-(3,4-dichlorophenyl)furan-2-yl]methylidene}-5-(2-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL490420
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1OC)c(=O)/c(=C\c1ccc(o1)c1ccc(c(c1)Cl)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 C28H22Cl2N2O5S MW 569.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22Cl2N2O5S/c1-4-36-27(34)24-15(2)31-28-32(25(24)18-7-5-6-8-22(18)35-3)26(33)23(38-28)14-17-10-12-21(37-17)16-9-11-19(29)20(30)13-16/h5-14,25H,4H2,1-3H3/b23-14+InChIKey
VRDMUADEVBHGBA-OEAKJJBVSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1OC)c(=O)c(=Cc1ccc(o1)c1ccc(c(c1)Cl)Cl)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3OC)C(=O)C(=CC4=CC=C(O4)C5=CC(=C(C=C5)Cl)Cl)S2)C
ethyl(2E)2((5(34dichlorophenyl)furan2yl)methylidene)5(2methoxyphenyl)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2E)2((5(34DICHLOROPHENYL)FURAN2YL)METHYLIDENE)5(2METHOXYPHENYL)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC28H22Cl2N2O5Sc143627(34)2415(2)312832(25(24)18756822(18)353)26(33)23(3828)1417101221(3717)1691119(29)20(30)1316h51425H4H213H3b2314+
MFCD01787330
ZINC000100185853
ZINC000100185856
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