Vitas-M small molecule compound
2-[4-bromo-1-(2-chlorobenzyl)-1H-pyrazol-3-yl]hexahydro-1H-isoindole-1,3(2H)-dione
Catalog ID
STL392594
SMILES O=C1C2CCCCC2C(=O)N1c1nn(cc1Br)Cc1ccccc1Cl
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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 C18H17BrClN3O2 MW 422.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17BrClN3O2/c19-14-10-22(9-11-5-1-4-8-15(11)20)21-16(14)23-17(24)12-6-2-3-7-13(12)18(23)25/h1,4-5,8,10,12-13H,2-3,6-7,9H2InChIKey
RNXAYCVUIGKORW-UHFFFAOYSA-NSynonyms
2(4bromo1((2chlorophenyl)methyl)pyrazol3yl)3a45677ahexahydroisoindole13dione
2(4bromo1(2chlorobenzyl)1Hpyrazol3yl)hexahydro1Hisoindole13(2H)dione
C1CCC2C(C1)C(=O)N(C2=O)C3=NN(C=C3Br)CC4=CC=CC=C4Cl
InChI=1SC18H17BrClN3O2c19141022(911514815(11)20)2116(14)2317(24)12623713(12)18(23)25h1458101213H23679H2
MFCD28952527
ZINC000017093282
ZINC000101593130
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