Vitas-M small molecule compound

2-butyl-3-[(4-methoxyphenyl)sulfanyl]-2,3-dihydro-1H-isoindol-1-one

Catalog ID
STK029743
SMILES CCCCN1C(=O)c2c(C1Sc1ccc(cc1)OC)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 C19H21NO2S MW 327.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21NO2S/c1-3-4-13-20-18(21)16-7-5-6-8-17(16)19(20)23-15-11-9-14(22-2)10-12-15/h5-12,19H,3-4,13H2,1-2H3
InChIKey
PSOSDXRSDQFGNI-UHFFFAOYSA-N
Synonyms

2BUTYL3((4METHOXYPHENYL)SULFANYL)23DIHYDRO1HISOINDOL1ONE
2BUTYL3(4METHOXYPHENYL)SULFANYL3HISOINDOL1ONE
CCCCN1C(=O)c2c(C1Sc1ccc(cc1)OC)cccc2
CCCCN1C(C2=CC=CC=C2C1=O)SC3=CC=C(C=C3)OC
InChI=1SC19H21NO2Sc134132018(21)16756817(16)19(20)231511914(222)101215h51219H3413H212H3
MFCD03033745
STK029743
ZINC000004603297
ZINC000004603298

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Available files

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