Vitas-M small molecule compound

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

Catalog ID
STK772069
SMILES O=C(C1CCCCC1C(=O)OCC(F)(F)F)NCCc1c(C)[nH]c2c1cccc2Cl

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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 C21H24ClF3N2O3 MW 444.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24ClF3N2O3/c1-12-13(14-7-4-8-17(22)18(14)27-12)9-10-26-19(28)15-5-2-3-6-16(15)20(29)30-11-21(23,24)25/h4,7-8,15-16,27H,2-3,5-6,9-11H2,1H3,(H,26,28)
InChIKey
SPRRXHSRYFFKFG-UHFFFAOYSA-N
Synonyms

222TRIFLUOROETHYL2(((2(7CHLORO2METHYL1HINDOL3YL)ETHYL)AMINO)CARBONYL)CYCLOHEXANECARBOXYLATE
222trifluoroethyl2((2(7chloro2methyl1Hindol3yl)ethyl)carbamoyl)cyclohexanecarboxylate
222TRIFLUOROETHYL2(2(7CHLORO2METHYL1HINDOL3YL)ETHYLCARBAMOYL)CYCLOHEXANE1CARBOXYLATE
CC1=C(C2=C(N1)C(=CC=C2)Cl)CCNC(=O)C3CCCCC3C(=O)OCC(F)(F)F
InChI=1SC21H24ClF3N2O3c11213(1474817(22)18(14)2712)9102619(28)15523616(15)20(29)301121(2324)25h478151627H2356911H21H3(H2628)
MFCD03768076
O=C(C1CCCCC1C(=O)OCC(F)(F)F)NCCc1c(C)(nH)c2c1cccc2Cl
ZINC000001075742
ZINC000001075749

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Available files

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