Vitas-M small molecule compound

{4-[bis(4-fluorophenyl)methyl]piperazin-1-yl}(5-chloro-1H-indol-3-yl)acetic acid

Catalog ID
STK637146
SMILES Fc1ccc(cc1)C(c1ccc(cc1)F)N1CCN(CC1)C(c1c[nH]c2c1cc(Cl)cc2)C(=O)O

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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 C27H24ClF2N3O2 MW 495.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24ClF2N3O2/c28-19-5-10-24-22(15-19)23(16-31-24)26(27(34)35)33-13-11-32(12-14-33)25(17-1-6-20(29)7-2-17)18-3-8-21(30)9-4-18/h1-10,15-16,25-26,31H,11-14H2,(H,34,35)
InChIKey
UWSRELQESLBWOM-UHFFFAOYSA-N
Synonyms
1010925-94-6
(4(bis(4fluorophenyl)methyl)piperazin1yl)(5chloro1Hindol3yl)aceticacid
1010925946
2(4(bis(4fluorophenyl)methyl)piperazin1yl)2(5chloro1Hindol3yl)aceticacid
C1CN(CCN1C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(C4=CNC5=C4C=C(C=C5)Cl)C(=O)O
Fc1ccc(cc1)C(c1ccc(cc1)F)N1CCN(CC1)C(c1c(nH)c2c1cc(Cl)cc2)C(=O)O
InChI=1SC27H24ClF2N3O2c28195102422(1519)23(163124)26(27(34)35)33131132(121433)25(171620(29)7217)183821(30)9418h1101516252631H1114H2(H3435)
MFCD12204756
ZINC000020714152
ZINC000020714156

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Available files

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