Vitas-M small molecule compound
ethyl (2Z)-5-(4-fluorophenyl)-2-({5-[2-(methoxycarbonyl)phenyl]furan-2-yl}methylidene)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL164237
SMILES CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)F)c(=O)/c(=C/c1ccc(o1)c1ccccc1C(=O)OC)/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 C29H23FN2O6S MW 546.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23FN2O6S/c1-4-37-28(35)24-16(2)31-29-32(25(24)17-9-11-18(30)12-10-17)26(33)23(39-29)15-19-13-14-22(38-19)20-7-5-6-8-21(20)27(34)36-3/h5-15,25H,4H2,1-3H3/b23-15-InChIKey
BZQHHDHVMMFOGE-HAHDFKILSA-NSynonyms
CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)F)c(=O)c(=Cc1ccc(o1)c1ccccc1C(=O)OC)s2
CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)F)C(=O)C(=CC4=CC=C(O4)C5=CC=CC=C5C(=O)OC)S2)C
ethyl(2Z)5(4fluorophenyl)2((5(2(methoxycarbonyl)phenyl)furan2yl)methylidene)7methyl3oxo23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
ETHYL(2Z)5(4FLUOROPHENYL)2((5(2METHOXYCARBONYLPHENYL)FURAN2YL)METHYLIDENE)7METHYL3OXO5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
InChI=1SC29H23FN2O6Sc143728(35)2416(2)312932(25(24)1791118(30)121017)26(33)23(3929)1519131422(3819)20756821(20)27(34)363h51525H4H213H3b2315
MFCD02632110
ZINC000002139731
ZINC000002139736
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