Vitas-M small molecule compound
6-({(E)-[1-(2,4-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-2-methyl-1H-benzo[de]isoquinoline-1,3(2H)-dione
Catalog ID
STL295840
SMILES Cc1ccc(c(c1)C)N1N=C(/C(=C\Nc2ccc3c4c2cccc4c(=O)n(c3=O)C)/C1=O)C
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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 C26H22N4O3 MW 438.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N4O3/c1-14-8-11-22(15(2)12-14)30-26(33)20(16(3)28-30)13-27-21-10-9-19-23-17(21)6-5-7-18(23)24(31)29(4)25(19)32/h5-13,27H,1-4H3/b20-13+InChIKey
SQDAYCNFTJDVSU-DEDYPNTBSA-NSynonyms
6(((E)(1(24dimethylphenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)amino)2methyl1Hbenzo(de)isoquinoline13(2H)dione
6(((E)(1(24dimethylphenyl)3methyl5oxopyrazol4ylidene)methyl)amino)2methylbenzo(de)isoquinoline13dione
CC1=CC(=C(C=C1)N2C(=O)C(=CNC3=C4C=CC=C5C4=C(C=C3)C(=O)N(C5=O)C)C(=N2)C)C
Cc1ccc(c(c1)C)N1N=C(C(=CNc2ccc3c4c2cccc4c(=O)n(c3=O)C)C1=O)C
InChI=1SC26H22N4O3c11481122(15(2)1214)3026(33)20(16(3)2830)132721109192317(21)65718(23)24(31)29(4)25(19)32h51327H14H3b2013+
MFCD28033180
ZINC000008386703
ZINC08386703
ZINC8386703
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