Vitas-M small molecule compound
2-[4-bromo-1-(4-chlorobenzyl)-1H-pyrazol-3-yl]-4-nitro-1H-isoindole-1,3(2H)-dione
Catalog ID
STL392840
SMILES Clc1ccc(cc1)Cn1cc(c(n1)N1C(=O)c2c(C1=O)cccc2[N+](=O)[O-])Br
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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 C18H10BrClN4O4 MW 461.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H10BrClN4O4/c19-13-9-22(8-10-4-6-11(20)7-5-10)21-16(13)23-17(25)12-2-1-3-14(24(27)28)15(12)18(23)26/h1-7,9H,8H2InChIKey
PTZYOUAIWXNIQE-UHFFFAOYSA-NSynonyms
1006995-69-21006995692
2(4BROMO1((4CHLOROPHENYL)METHYL)PYRAZOL3YL)4NITROBENZO(C)AZOLINE13DIONE
2(4bromo1((4chlorophenyl)methyl)pyrazol3yl)4nitroisoindole13dione
2(4BROMO1(4CHLOROBENZYL)1HPYRAZOL3YL)4NITRO1HISOINDOLE13(2H)DIONE
C1=CC2=C(C(=C1)(N+)(=O)(O))C(=O)N(C2=O)C3=NN(C=C3Br)CC4=CC=C(C=C4)Cl
Clc1ccc(cc1)Cn1cc(c(n1)N1C(=O)c2c(C1=O)cccc2(N+)(=O)(O))Br
InChI=1SC18H10BrClN4O4c1913922(8104611(20)7510)2116(13)2317(25)1221314(24(27)28)15(12)18(23)26h179H8H2
MFCD08282985
ZINC000008782539
ZINC08782539
ZINC8782539
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