Vitas-M small molecule compound
ethyl (2Z)-5-(2-chlorophenyl)-7-methyl-2-{[5-(morpholin-4-yl)furan-2-yl]methylidene}-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL495647
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1Cl)c(=O)/c(=C/c1ccc(o1)N1CCOCC1)/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 C25H24ClN3O5S MW 514.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24ClN3O5S/c1-3-33-24(31)21-15(2)27-25-29(22(21)17-6-4-5-7-18(17)26)23(30)19(35-25)14-16-8-9-20(34-16)28-10-12-32-13-11-28/h4-9,14,22H,3,10-13H2,1-2H3/b19-14-InChIKey
QBQKMBMFARMZOR-RGEXLXHISA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccccc1Cl)c(=O)c(=Cc1ccc(o1)N1CCOCC1)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3Cl)C(=O)C(=CC4=CC=C(O4)N5CCOCC5)S2)C
ethyl(2Z)5(2chlorophenyl)7methyl2((5(morpholin4yl)furan2yl)methylidene)3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)5(2CHLOROPHENYL)7METHYL2((5MORPHOLIN4YLFURAN2YL)METHYLIDENE)3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC25H24ClN3O5Sc133324(31)2115(2)272529(22(21)17645718(17)26)23(30)19(3525)14168920(3416)28101232131128h491422H31013H212H3b1914
MFCD05040333
ZINC000000669396
ZINC000000669400
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