Vitas-M small molecule compound

2,2,2-trifluoroethyl 2-{[2-(2,7-dimethyl-1H-indol-3-yl)ethyl]carbamoyl}cyclohexanecarboxylate

Catalog ID
STK773049
SMILES O=C(C1CCCCC1C(=O)OCC(F)(F)F)NCCc1c(C)[nH]c2c1cccc2C

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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 C22H27F3N2O3 MW 424.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27F3N2O3/c1-13-6-5-9-16-15(14(2)27-19(13)16)10-11-26-20(28)17-7-3-4-8-18(17)21(29)30-12-22(23,24)25/h5-6,9,17-18,27H,3-4,7-8,10-12H2,1-2H3,(H,26,28)
InChIKey
SVDYAELSCIZCCR-UHFFFAOYSA-N
Synonyms

222TRIFLUOROETHYL(1R2S)2((2(27DIMETHYL1HINDOL3YL)ETHYL)CARBAMOYL)CYCLOHEXANECARBOXYLATE
222TRIFLUOROETHYL(1S2S)2((2(27DIMETHYL1HINDOL3YL)ETHYL)CARBAMOYL)CYCLOHEXANECARBOXYLATE
222TRIFLUOROETHYL2(((2(27DIMETHYL1HINDOL3YL)ETHYL)AMINO)CARBONYL)CYCLOHEXANECARBOXYLATE
222trifluoroethyl2((2(27dimethyl1Hindol3yl)ethyl)carbamoyl)cyclohexanecarboxylate
222TRIFLUOROETHYL2(2(27DIMETHYL1HINDOL3YL)ETHYLCARBAMOYL)CYCLOHEXANE1CARBOXYLATE
CC1=CC=CC2=C1NC(=C2CCNC(=O)C3CCCCC3C(=O)OCC(F)(F)F)C
InChI=1SC22H27F3N2O3c1136591615(14(2)2719(13)16)10112620(28)17734818(17)21(29)301222(2324)25h569171827H34781012H212H3(H2628)
MFCD03821181
O=C(C1CCCCC1C(=O)OCC(F)(F)F)NCCc1c(C)(nH)c2c1cccc2C
ZINC000001079722
ZINC000001079730

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Available files

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