Vitas-M small molecule compound

ethyl 3-[(3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propanoyl)amino]-1H-indole-2-carboxylate

Catalog ID
STK550855
SMILES CCOC(=O)c1[nH]c2c(c1NC(=O)CCN1CCN(CC1)c1cccc(c1)C(F)(F)F)cccc2

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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 C25H27F3N4O3 MW 488.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27F3N4O3/c1-2-35-24(34)23-22(19-8-3-4-9-20(19)29-23)30-21(33)10-11-31-12-14-32(15-13-31)18-7-5-6-17(16-18)25(26,27)28/h3-9,16,29H,2,10-15H2,1H3,(H,30,33)
InChIKey
DUXABKGBBALVKY-UHFFFAOYSA-N
Synonyms
799811-21-5
799811215
CCOC(=O)c1(nH)c2c(c1NC(=O)CCN1CCN(CC1)c1cccc(c1)C(F)(F)F)cccc2
CCOC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)CCN3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F
ethyl3((3(4(3(trifluoromethyl)phenyl)piperazin1yl)propanoyl)amino)1Hindole2carboxylate
ethyl3(3(4(3(trifluoromethyl)phenyl)piperazin1yl)propanamido)1Hindole2carboxylate
ETHYL3(3(4(3(TRIFLUOROMETHYL)PHENYL)PIPERAZIN1YL)PROPANOYLAMINO)1HINDOLE2CARBOXYLATE
InChI=1SC25H27F3N4O3c123524(34)2322(19834920(19)2923)3021(33)101131121432(151331)1875617(1618)25(2627)28h391629H21015H21H3(H3033)
MFCD03680670
ZINC000009012760
ZINC9012760

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Available files

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