Vitas-M small molecule compound

3-[(2-methoxyphenyl)amino]-1-(2,6,6-trimethylcyclohex-3-en-1-yl)butan-1-one

Catalog ID
STK054876
SMILES COc1ccccc1NC(CC(=O)C1C(C)C=CCC1(C)C)C

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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 C20H29NO2 MW 315.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H29NO2/c1-14-9-8-12-20(3,4)19(14)17(22)13-15(2)21-16-10-6-7-11-18(16)23-5/h6-11,14-15,19,21H,12-13H2,1-5H3
InChIKey
NWPFUGLRWBMGIL-UHFFFAOYSA-N
Synonyms
1005106-38-6
1005106386
3((2METHOXYPHENYL)AMINO)1(266TRIMETHYLCYCLOHEX3EN1YL)BUTAN1ONE
3(2METHOXYANILINO)1(266TRIMETHYLCYCLOHEX3EN1YL)BUTAN1ONE
CC1C=CCC(C1C(=O)CC(C)NC2=CC=CC=C2OC)(C)C
COc1ccccc1NC(CC(=O)C1C(C)C=CCC1(C)C)C
InChI=1SC20H29NO2c114981220(34)19(14)17(22)1315(2)211610671118(16)235h61114151921H1213H215H3
MFCD01548639
STK054876
ZINC000003999256
ZINC000003999259

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Available files

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