Vitas-M small molecule compound
(1Z)-6-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-8-fluoro-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
STL510601
SMILES S=C1NC(=O)/C(=C\2/C(=O)N3c4c2cc(F)cc4C(=CC3(C)C)CN2CCN(CC2)Cc2ccc3c(c2)OCO3)/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 C29H27FN4O4S2 MW 578.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27FN4O4S2/c1-29(2)12-17(14-33-7-5-32(6-8-33)13-16-3-4-21-22(9-16)38-15-37-21)19-10-18(30)11-20-23(27(36)34(29)24(19)20)25-26(35)31-28(39)40-25/h3-4,9-12H,5-8,13-15H2,1-2H3,(H,31,35,39)/b25-23-InChIKey
HGKQCMQWMRXLOP-BZZOAKBMSA-NSynonyms
(1Z)6((4(13benzodioxol5ylmethyl)piperazin1yl)methyl)8fluoro44dimethyl1(4oxo2thioxo13thiazolidin5ylidene)4Hpyrrolo(321ij)quinolin2(1H)one
(5~(Z))5(9((4(13benzodioxol5ylmethyl)piperazin1yl)methyl)6fluoro1111dimethyl2oxo1azatricyclo(6310^(412))dodeca468(12)9tetraen3ylidene)2sulfanylidene13thiazolidin4one
134717245
InChI=1SC29H27FN4O4S2c129(2)1217(14337532(6833)1316342122(916)38153721)191018(30)112023(27(36)34(29)24(19)20)2526(35)3128(39)4025h34912H581315H212H3(H313539)b2523
MFCD31711550
ZINC001554503134
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