Vitas-M small molecule compound

methyl 6-methoxy-3-[({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}acetyl)amino]-1H-indole-2-carboxylate

Catalog ID
STK554544
SMILES COC(=O)c1[nH]c2c(c1NC(=O)CN1CCN(CC1)c1cccc(c1)C(F)(F)F)ccc(c2)OC

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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 C24H25F3N4O4 MW 490.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25F3N4O4/c1-34-17-6-7-18-19(13-17)28-22(23(33)35-2)21(18)29-20(32)14-30-8-10-31(11-9-30)16-5-3-4-15(12-16)24(25,26)27/h3-7,12-13,28H,8-11,14H2,1-2H3,(H,29,32)
InChIKey
LXUAKDBECNSXHE-UHFFFAOYSA-N
Synonyms
840476-25-7
840476257
COC(=O)c1(nH)c2c(c1NC(=O)CN1CCN(CC1)c1cccc(c1)C(F)(F)F)ccc(c2)OC
COC1=CC2=C(C=C1)C(=C(N2)C(=O)OC)NC(=O)CN3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F
InChI=1SC24H25F3N4O4c13417671819(1317)2822(23(33)352)21(18)2920(32)143081031(11930)1653415(1216)24(2526)27h37121328H81114H212H3(H2932)
methyl6methoxy3(((4(3(trifluoromethyl)phenyl)piperazin1yl)acetyl)amino)1Hindole2carboxylate
METHYL6METHOXY3((2(4(3(TRIFLUOROMETHYL)PHENYL)PIPERAZIN1YL)ACETYL)AMINO)1HINDOLE2CARBOXYLATE
methyl6methoxy3(2(4(3(trifluoromethyl)phenyl)piperazin1yl)acetamido)1Hindole2carboxylate
MFCD04005906
ZINC000057063940
ZINC57063940

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Available files

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