Vitas-M small molecule compound
2-[1-(3,4-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-4-nitro-1H-isoindole-1,3(2H)-dione
Catalog ID
STL403526
SMILES Clc1ccc(cc1Cl)Cn1nc(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 C20H14Cl2N4O4 MW 445.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14Cl2N4O4/c1-10-18(11(2)24(23-10)9-12-6-7-14(21)15(22)8-12)25-19(27)13-4-3-5-16(26(29)30)17(13)20(25)28/h3-8H,9H2,1-2H3InChIKey
KUKGNJWVSMMJIL-UHFFFAOYSA-NSynonyms
1006996-44-61006996446
2(1((34dichlorophenyl)methyl)35dimethylpyrazol4yl)4nitroisoindole13dione
2(1(34dichlorobenzyl)35dimethyl1Hpyrazol4yl)4nitro1Hisoindole13(2H)dione
CC1=C(C(=NN1CC2=CC(=C(C=C2)Cl)Cl)C)N3C(=O)C4=C(C3=O)C(=CC=C4)(N+)(=O)(O)
Clc1ccc(cc1Cl)Cn1nc(c(c1C)N1C(=O)c2c(C1=O)cccc2(N+)(=O)(O))C
InChI=1SC20H14Cl2N4O4c11018(11(2)24(2310)9126714(21)15(22)812)2519(27)1343516(26(29)30)17(13)20(25)28h38H9H212H3
MFCD08554309
ZINC000019642701
ZINC19642701
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