Vitas-M small molecule compound
(1Z)-8-fluoro-6-{[4-(furan-2-ylcarbonyl)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
STL510624
SMILES S=C1NC(=O)/C(=C\2/C(=O)N3c4c2cc(F)cc4C(=CC3(C)C)CN2CCN(CC2)C(=O)c2ccco2)/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 C26H23FN4O4S2 MW 538.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23FN4O4S2/c1-26(2)12-14(13-29-5-7-30(8-6-29)23(33)18-4-3-9-35-18)16-10-15(27)11-17-19(24(34)31(26)20(16)17)21-22(32)28-25(36)37-21/h3-4,9-12H,5-8,13H2,1-2H3,(H,28,32,36)/b21-19-InChIKey
KPTBZOYYCLZGJH-VZCXRCSSSA-NSynonyms
(1Z)8fluoro6((4(furan2ylcarbonyl)piperazin1yl)methyl)44dimethyl1(4oxo2thioxo13thiazolidin5ylidene)4Hpyrrolo(321ij)quinolin2(1H)one
(5~(Z))5(6fluoro9((4(furan2carbonyl)piperazin1yl)methyl)1111dimethyl2oxo1azatricyclo(6310^(412))dodeca468(12)9tetraen3ylidene)2sulfanylidene13thiazolidin4one
134717267
InChI=1SC26H23FN4O4S2c126(2)1214(13295730(8629)23(33)184393518)161015(27)111719(24(34)31(26)20(16)17)2122(32)2825(36)3721h34912H5813H212H3(H283236)b2119
MFCD31711573
ZINC001554503150
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