Vitas-M small molecule compound
(1Z)-8-fluoro-6-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-4,4-dimethyl-1-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-4H-pyrrolo[3,2,1-ij]quinolin-2(1H)-one
Catalog ID
STL510622
SMILES S=C1NC(=O)/C(=C\2/C(=O)N3c4c2cc(F)cc4C(=CC3(C)C)CN2CCN(CC2)c2ccccc2F)/S1
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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 C27H24F2N4O2S2 MW 538.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24F2N4O2S2/c1-27(2)13-15(14-31-7-9-32(10-8-31)20-6-4-3-5-19(20)29)17-11-16(28)12-18-21(25(35)33(27)22(17)18)23-24(34)30-26(36)37-23/h3-6,11-13H,7-10,14H2,1-2H3,(H,30,34,36)/b23-21-InChIKey
XUVLPJNEGSKGHI-LNVKXUELSA-NSynonyms
(1Z)8fluoro6((4(2fluorophenyl)piperazin1yl)methyl)44dimethyl1(4oxo2thioxo13thiazolidin5ylidene)4Hpyrrolo(321ij)quinolin2(1H)one
(5~(Z))5(6fluoro9((4(2fluorophenyl)piperazin1yl)methyl)1111dimethyl2oxo1azatricyclo(6310^(412))dodeca468(12)9tetraen3ylidene)2sulfanylidene13thiazolidin4one
134717265
InChI=1SC27H24F2N4O2S2c127(2)1315(14317932(10831)20643519(20)29)171116(28)121821(25(35)33(27)22(17)18)2324(34)3026(36)3723h361113H71014H212H3(H303436)b2321
MFCD31711571
ZINC001554503300
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