Vitas-M small molecule compound
2-{1-[(4-bromophenoxy)methyl]-1H-pyrazol-4-yl}hexahydro-1H-isoindole-1,3(2H)-dione
Catalog ID
STL399628
SMILES O=C1C2CCCCC2C(=O)N1c1cnn(c1)COc1ccc(cc1)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 C18H18BrN3O3 MW 404.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18BrN3O3/c19-12-5-7-14(8-6-12)25-11-21-10-13(9-20-21)22-17(23)15-3-1-2-4-16(15)18(22)24/h5-10,15-16H,1-4,11H2InChIKey
RQVDEUQFIAEGHJ-UHFFFAOYSA-NSynonyms
2(1((4BROMOPHENOXY)METHYL)1HPYRAZOL4YL)HEXAHYDRO1HISOINDOLE13(2H)DIONE
2(1((4bromophenoxy)methyl)pyrazol4yl)3a45677ahexahydroisoindole13dione
C1CCC2C(C1)C(=O)N(C2=O)C3=CN(N=C3)COC4=CC=C(C=C4)Br
InChI=1SC18H18BrN3O3c19125714(8612)2511211013(92021)2217(23)15312416(15)18(22)24h5101516H1411H2
MFCD28952581
ZINC000017082801
ZINC000101589891
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