Vitas-M small molecule compound
2-[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-4-nitro-1H-isoindole-1,3(2H)-dione
Catalog ID
STK315052
SMILES Clc1ccccc1Cn1nc(c(c1C)N1C(=O)c2c(C1=O)cccc2[N+](=O)[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 C20H15ClN4O4 MW 410.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15ClN4O4/c1-11-18(12(2)23(22-11)10-13-6-3-4-8-15(13)21)24-19(26)14-7-5-9-16(25(28)29)17(14)20(24)27/h3-9H,10H2,1-2H3InChIKey
CIRQHXRLORCUDU-UHFFFAOYSA-NSynonyms
1006995-77-21006995772
2(1((2chlorophenyl)methyl)35dimethylpyrazol4yl)4nitroisoindole13dione
2(1(2chlorobenzyl)35dimethyl1Hpyrazol4yl)4nitro1Hisoindole13(2H)dione
CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)N3C(=O)C4=C(C3=O)C(=CC=C4)(N+)(=O)(O)
Clc1ccccc1Cn1nc(c(c1C)N1C(=O)c2c(C1=O)cccc2(N+)(=O)(O))C
InChI=1SC20H15ClN4O4c11118(12(2)23(2211)1013634815(13)21)2419(26)1475916(25(28)29)17(14)20(24)27h39H10H212H3
MFCD08554156
ZINC000013961329
ZINC13961329
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