Vitas-M small molecule compound
(5Z)-1-(4-ethoxyphenyl)-5-[(6-fluoro-2-methyl-3,4-dihydroquinolin-1(2H)-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STL372455
SMILES CCOc1ccc(cc1)N1C(=S)NC(=O)/C(=C/N2C(C)CCc3c2ccc(c3)F)/C1=O
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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 C23H22FN3O3S MW 439.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22FN3O3S/c1-3-30-18-9-7-17(8-10-18)27-22(29)19(21(28)25-23(27)31)13-26-14(2)4-5-15-12-16(24)6-11-20(15)26/h6-14H,3-5H2,1-2H3,(H,25,28,31)/b19-13-InChIKey
ZIHZDQGNUVSGTD-UYRXBGFRSA-NSynonyms
(5Z)1(4ethoxyphenyl)5((6fluoro2methyl34dihydro2Hquinolin1yl)methylidene)2sulfanylidene13diazinane46dione
(5Z)1(4ethoxyphenyl)5((6fluoro2methyl34dihydroquinolin1(2H)yl)methylidene)2thioxodihydropyrimidine46(1H5H)dione
CCOC1=CC=C(C=C1)N2C(=O)C(=CN3C(CCC4=C3C=CC(=C4)F)C)C(=O)NC2=S
CCOc1ccc(cc1)N1C(=S)NC(=O)C(=CN2C(C)CCc3c2ccc(c3)F)C1=O
InChI=1SC23H22FN3O3Sc1330189717(81018)2722(29)19(21(28)2523(27)31)132614(2)45151216(24)61120(15)26h614H35H212H3(H252831)b1913
MFCD28950944
ZINC000096246895
ZINC000096246896
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