Vitas-M small molecule compound

2-{1-[(1-hydroxybutan-2-yl)amino]-2-(naphthalen-1-yl)ethylidene}-5,5-dimethylcyclohexane-1,3-dione

Catalog ID
STK681019
SMILES CCC(NC(=C1C(=O)CC(CC1=O)(C)C)Cc1cccc2c1cccc2)CO

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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 C24H29NO3 MW 379.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H29NO3/c1-4-18(15-26)25-20(23-21(27)13-24(2,3)14-22(23)28)12-17-10-7-9-16-8-5-6-11-19(16)17/h5-11,18,25-26H,4,12-15H2,1-3H3
InChIKey
BFRRJQJJLJNTGE-UHFFFAOYSA-N
Synonyms

2(1((1hydroxybutan2yl)amino)2(naphthalen1yl)ethylidene)55dimethylcyclohexane13dione
2(1(1HYDROXYBUTAN2YLAMINO)2NAPHTHALEN1YLETHYLIDENE)55DIMETHYLCYCLOHEXANE13DIONE
CCC(CO)NC(=C1C(=O)CC(CC1=O)(C)C)CC2=CC=CC3=CC=CC=C32
InChI=1SC24H29NO3c1418(1526)2520(2321(27)1324(23)1422(23)28)12171079168561119(16)17h511182526H41215H213H3
MFCD03696357
ZINC000100138426
ZINC000100138430

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Available files

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