Vitas-M small molecule compound
2-[1-(2,4-dichlorobenzyl)-1H-pyrazol-4-yl]-4-nitro-1H-isoindole-1,3(2H)-dione
Catalog ID
STK315039
SMILES Clc1ccc(c(c1)Cl)Cn1ncc(c1)N1C(=O)c2c(C1=O)cccc2[N+](=O)[O-]
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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 C18H10Cl2N4O4 MW 417.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H10Cl2N4O4/c19-11-5-4-10(14(20)6-11)8-22-9-12(7-21-22)23-17(25)13-2-1-3-15(24(27)28)16(13)18(23)26/h1-7,9H,8H2InChIKey
HKFJTVPHSGEQIJ-UHFFFAOYSA-NSynonyms
1006995-73-81006995738
2(1((24dichlorophenyl)methyl)pyrazol4yl)4nitroisoindole13dione
2(1(24dichlorobenzyl)1Hpyrazol4yl)4nitro1Hisoindole13(2H)dione
C1=CC2=C(C(=C1)(N+)(=O)(O))C(=O)N(C2=O)C3=CN(N=C3)CC4=C(C=C(C=C4)Cl)Cl
Clc1ccc(c(c1)Cl)Cn1ncc(c1)N1C(=O)c2c(C1=O)cccc2(N+)(=O)(O)
InChI=1SC18H10Cl2N4O4c19115410(14(20)611)822912(72122)2317(25)1321315(24(27)28)16(13)18(23)26h179H8H2
MFCD08554112
ZINC000013961319
ZINC13961319
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