Vitas-M small molecule compound

N-(2-oxo-2-{[4-(trifluoromethoxy)phenyl]amino}ethyl)-1,3,4,9-tetrahydro-2H-beta-carboline-2-carboxamide

Catalog ID
STK647117
SMILES O=C(Nc1ccc(cc1)OC(F)(F)F)CNC(=O)N1CCc2c(C1)[nH]c1c2cccc1

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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 C21H19F3N4O3 MW 432.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19F3N4O3/c22-21(23,24)31-14-7-5-13(6-8-14)26-19(29)11-25-20(30)28-10-9-16-15-3-1-2-4-17(15)27-18(16)12-28/h1-8,27H,9-12H2,(H,25,30)(H,26,29)
InChIKey
QVOOVCPGSVTPQW-UHFFFAOYSA-N
Synonyms
1010917-10-8
1010917108
C1CN(CC2=C1C3=CC=CC=C3N2)C(=O)NCC(=O)NC4=CC=C(C=C4)OC(F)(F)F
InChI=1SC21H19F3N4O3c2221(2324)31147513(6814)2619(29)112520(30)281091615312417(15)2718(16)1228h1827H912H2(H2530)(H2629)
MFCD12199250
N(2oxo2((4(trifluoromethoxy)phenyl)amino)ethyl)1349tetrahydro2Hbetacarboline2carboxamide
N(2oxo2((4(trifluoromethoxy)phenyl)amino)ethyl)34dihydro1Hpyrido(34b)indole2(9H)carboxamide
N(2oxo2(4(trifluoromethoxy)anilino)ethyl)1349tetrahydropyrido(34b)indole2carboxamide
O=C(Nc1ccc(cc1)OC(F)(F)F)CNC(=O)N1CCc2c(C1)(nH)c1c2cccc1
ZINC000012321443
ZINC12321443

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Available files

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