Vitas-M small molecule compound

2-(5-chloro-2-hydroxyphenyl)-4-methyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione

Catalog ID
STK252738
SMILES Clc1ccc(c(c1)N1C(=O)C2C(C1=O)C(C)C=CC2)O

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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 C15H14ClNO3 MW 291.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H14ClNO3/c1-8-3-2-4-10-13(8)15(20)17(14(10)19)11-7-9(16)5-6-12(11)18/h2-3,5-8,10,13,18H,4H2,1H3
InChIKey
JKYGQEBBBWTAHT-UHFFFAOYSA-N
Synonyms
342422-08-6
2(5CHLORO2HYDROXYPHENYL)4METHYL3A477ATETRAHYDRO1HISOINDOLE13(2H)DIONE
2(5CHLORO2HYDROXYPHENYL)4METHYL3A477ATETRAHYDROISOINDOLE13DIONE
342422086
CC1C=CCC2C1C(=O)N(C2=O)C3=C(C=CC(=C3)Cl)O
InChI=1SC15H14ClNO3c183241013(8)15(20)17(14(10)19)1179(16)5612(11)18h2358101318H4H21H3
MFCD01798797
ZINC000018241177
ZINC000239121167

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.