Vitas-M small molecule compound
(1Z)-6-{[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl}-8-methoxy-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
STL510599
SMILES COc1cc2C(=CC(N3c2c(c1)/C(=C\1/SC(=S)NC1=O)/C3=O)(C)C)CN1CCN(CC1)Cc1ccc2c(c1)OCO2
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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 C30H30N4O5S2 MW 590.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H30N4O5S2/c1-30(2)13-18(15-33-8-6-32(7-9-33)14-17-4-5-22-23(10-17)39-16-38-22)20-11-19(37-3)12-21-24(28(36)34(30)25(20)21)26-27(35)31-29(40)41-26/h4-5,10-13H,6-9,14-16H2,1-3H3,(H,31,35,40)/b26-24-InChIKey
KYUHDDKVEQYGBM-LCUIJRPUSA-NSynonyms
(1Z)6((4(13benzodioxol5ylmethyl)piperazin1yl)methyl)8methoxy44dimethyl1(4oxo2thioxo13thiazolidin5ylidene)4Hpyrrolo(321ij)quinolin2(1H)one
(5~(Z))5(9((4(13benzodioxol5ylmethyl)piperazin1yl)methyl)6methoxy1111dimethyl2oxo1azatricyclo(6310^(412))dodeca468(12)9tetraen3ylidene)2sulfanylidene13thiazolidin4one
134717243
InChI=1SC30H30N4O5S2c130(2)1318(15338632(7933)1417452223(1017)39163822)201119(373)122124(28(36)34(30)25(20)21)2627(35)3129(40)4126h451013H691416H213H3(H313540)b2624
MFCD31711548
ZINC001554503156
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