Vitas-M small molecule compound
2-[1-(2,6-dichlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-4-nitro-1H-isoindole-1,3(2H)-dione
Catalog ID
STK315098
SMILES Clc1cccc(c1Cn1nc(c(c1C)N1C(=O)c2c(C1=O)cccc2[N+](=O)[O-])C)Cl
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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)9-13-14(21)6-4-7-15(13)22)25-19(27)12-5-3-8-16(26(29)30)17(12)20(25)28/h3-8H,9H2,1-2H3InChIKey
KQGQDRPWCFUOOW-UHFFFAOYSA-NSynonyms
1006996-40-21006996402
2(1((26dichlorophenyl)methyl)35dimethylpyrazol4yl)4nitroisoindole13dione
2(1(26dichlorobenzyl)35dimethyl1Hpyrazol4yl)4nitro1Hisoindole13(2H)dione
CC1=C(C(=NN1CC2=C(C=CC=C2Cl)Cl)C)N3C(=O)C4=C(C3=O)C(=CC=C4)(N+)(=O)(O)
Clc1cccc(c1Cn1nc(c(c1C)N1C(=O)c2c(C1=O)cccc2(N+)(=O)(O))C)Cl
InChI=1SC20H14Cl2N4O4c11018(11(2)24(2310)91314(21)64715(13)22)2519(27)1253816(26(29)30)17(12)20(25)28h38H9H212H3
MFCD08554307
ZINC000013961371
ZINC13961371
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