Vitas-M small molecule compound

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

Catalog ID
STK535889
SMILES COC(=O)c1[nH]c2c(c1NC(=O)C(N1CCN(CC1)c1cccc(c1)C(F)(F)F)C)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 C24H25F3N4O3 MW 474.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25F3N4O3/c1-15(22(32)29-20-18-8-3-4-9-19(18)28-21(20)23(33)34-2)30-10-12-31(13-11-30)17-7-5-6-16(14-17)24(25,26)27/h3-9,14-15,28H,10-13H2,1-2H3,(H,29,32)
InChIKey
GYYRNULMRFQPFB-UHFFFAOYSA-N
Synonyms

CC(C(=O)NC1=C(NC2=CC=CC=C21)C(=O)OC)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F
COC(=O)c1(nH)c2c(c1NC(=O)C(N1CCN(CC1)c1cccc(c1)C(F)(F)F)C)cccc2
InChI=1SC24H25F3N4O3c115(22(32)292018834919(18)2821(20)23(33)342)30101231(131130)1775616(1417)24(2526)27h39141528H1013H212H3(H2932)
methyl3((2(4(3(trifluoromethyl)phenyl)piperazin1yl)propanoyl)amino)1Hindole2carboxylate
methyl3(2(4(3(trifluoromethyl)phenyl)piperazin1yl)propanamido)1Hindole2carboxylate
METHYL3(2(4(3(TRIFLUOROMETHYL)PHENYL)PIPERAZIN1YL)PROPANOYLAMINO)1HINDOLE2CARBOXYLATE
MFCD02995142
ZINC000057054178
ZINC000057054181

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Available files

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