Vitas-M small molecule compound

(1R,2S)-2-(tert-butylcarbamoyl)cyclohexanecarboxylic acid

Catalog ID
STK010892
SMILES O=C([C@H]1CCCC[C@H]1C(=O)O)NC(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 C12H21NO3 MW 227.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H21NO3/c1-12(2,3)13-10(14)8-6-4-5-7-9(8)11(15)16/h8-9H,4-7H2,1-3H3,(H,13,14)(H,15,16)/t8-,9+/m0/s1
InChIKey
MDYLQMLQBRWTPP-DTWKUNHWSA-N
Synonyms

(1R2S)2(TERTBUTYLCARBAMOYL)CYCLOHEXANE1CARBOXYLICACID
(1R2S)2(TERTBUTYLCARBAMOYL)CYCLOHEXANECARBOXYLICACID
CC(C)(C)NC(=O)C1CCCCC1C(=O)O
InChI=1SC12H21NO3c112(23)1310(14)864579(8)11(15)16h89H47H213H3(H1314)(H1516)t89+m0s1
MFCD00029491
O=C((C@H)1CCCC(C@H)1C(=O)O)NC(C)(C)C
STK010892
ZINC000000397871
ZINC397871

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Available files

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