Vitas-M small molecule compound

2-(3,4-dichlorophenyl)-4-(4-methyl-3-nitrophenyl)phthalazin-1(2H)-one

Catalog ID
STK958453
SMILES Clc1cc(ccc1Cl)n1nc(c2ccc(c(c2)[N+](=O)[O-])C)c2c(c1=O)cccc2

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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 C21H13Cl2N3O3 MW 426.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H13Cl2N3O3/c1-12-6-7-13(10-19(12)26(28)29)20-15-4-2-3-5-16(15)21(27)25(24-20)14-8-9-17(22)18(23)11-14/h2-11H,1H3
InChIKey
KVYRFYRKKSFAOV-UHFFFAOYSA-N
Synonyms
445254-12-6
2(34DICHLOROPHENYL)4(3NITRO4METHYLPHENYL)1(2H)PHTHALAZINONE
2(34dichlorophenyl)4(4methyl3nitrophenyl)phthalazin1(2H)one
2(34dichlorophenyl)4(4methyl3nitrophenyl)phthalazin1one
445254126
CC1=C(C=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C4=CC(=C(C=C4)Cl)Cl)(N+)(=O)(O)
Clc1cc(ccc1Cl)n1nc(c2ccc(c(c2)(N+)(=O)(O))C)c2c(c1=O)cccc2
InChI=1SC21H13Cl2N3O3c1126713(1019(12)26(28)29)2015423516(15)21(27)25(2420)148917(22)18(23)1114h211H1H3
MFCD02054512
ZINC000002748949
ZINC02748949
ZINC2748949

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Available files

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