Vitas-M small molecule compound

3-(benzylamino)-1-(2,6,6-trimethylcyclohex-3-en-1-yl)butan-1-one

Catalog ID
STL060846
SMILES CC(CC(=O)C1C(C)C=CCC1(C)C)NCc1ccccc1

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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 C20H29NO MW 299.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H29NO/c1-15-9-8-12-20(3,4)19(15)18(22)13-16(2)21-14-17-10-6-5-7-11-17/h5-11,15-16,19,21H,12-14H2,1-4H3
InChIKey
QMLSZOCKIAJRPY-UHFFFAOYSA-N
Synonyms
1009161-99-2
1009161992
3(benzylamino)1(266trimethylcyclohex3en1yl)butan1one
3(benzylamino)1(266trimethylcyclohex3en1yl)butan1oneoxalate
CC1C=CCC(C1C(=O)CC(C)NCC2=CC=CC=C2)(C)C
InChI=1SC20H29NOc115981220(34)19(15)18(22)1316(2)211417106571117h51115161921H1214H214H3
MFCD04159155
OC(=O)C(=O)OCC(CC(=O)C1C(C)C=CCC1(C)C)NCc1ccccc1
ZINC000005151606
ZINC000005151620

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Available files

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