Vitas-M small molecule compound
2-[5-({(E)-[1-(4-chlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-2-methylbenzyl]-1H-isoindole-1,3(2H)-dione
Catalog ID
STL295738
SMILES Clc1ccc(cc1)N1N=C(/C(=C\Nc2ccc(c(c2)CN2C(=O)c3c(C2=O)cccc3)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 C27H21ClN4O3 MW 484.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21ClN4O3/c1-16-7-10-20(13-18(16)15-31-25(33)22-5-3-4-6-23(22)26(31)34)29-14-24-17(2)30-32(27(24)35)21-11-8-19(28)9-12-21/h3-14,29H,15H2,1-2H3/b24-14+InChIKey
UBDCOGPOBMLINJ-ZVHZXABRSA-NSynonyms
2((5(((E)(1(4chlorophenyl)3methyl5oxopyrazol4ylidene)methyl)amino)2methylphenyl)methyl)isoindole13dione
2(5(((E)(1(4chlorophenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)amino)2methylbenzyl)1Hisoindole13(2H)dione
CC1=C(C=C(C=C1)NC=C2C(=NN(C2=O)C3=CC=C(C=C3)Cl)C)CN4C(=O)C5=CC=CC=C5C4=O
Clc1ccc(cc1)N1N=C(C(=CNc2ccc(c(c2)CN2C(=O)c3c(C2=O)cccc3)C)C1=O)C
InChI=1SC27H21ClN4O3c11671020(1318(16)153125(33)22534623(22)26(31)34)29142417(2)3032(27(24)35)2111819(28)91221h31429H15H212H3b2414+
MFCD28033116
ZINC000001029289
ZINC1029289
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