Vitas-M small molecule compound
2-[1-(3,4-dichlorobenzyl)-1H-pyrazol-4-yl]hexahydro-1H-isoindole-1,3(2H)-dione
Catalog ID
STL391416
SMILES O=C1N(c2cnn(c2)Cc2ccc(c(c2)Cl)Cl)C(=O)C2C1CCCC2
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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 C18H17Cl2N3O2 MW 378.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17Cl2N3O2/c19-15-6-5-11(7-16(15)20)9-22-10-12(8-21-22)23-17(24)13-3-1-2-4-14(13)18(23)25/h5-8,10,13-14H,1-4,9H2InChIKey
UTTYAVBIROUIHG-UHFFFAOYSA-NSynonyms
2(1((34dichlorophenyl)methyl)pyrazol4yl)3a45677ahexahydroisoindole13dione
2(1(34dichlorobenzyl)1Hpyrazol4yl)hexahydro1Hisoindole13(2H)dione
C1CCC2C(C1)C(=O)N(C2=O)C3=CN(N=C3)CC4=CC(=C(C=C4)Cl)Cl
InChI=1SC18H17Cl2N3O2c19156511(716(15)20)9221012(82122)2317(24)13312414(13)18(23)25h58101314H149H2
MFCD28952520
ZINC000018212113
ZINC000101592500
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