Vitas-M small molecule compound

6-{[4-(3-chlorobenzyl)piperazin-1-yl]carbonyl}cyclohex-3-ene-1-carboxylic acid

Catalog ID
STK477626
SMILES Clc1cccc(c1)CN1CCN(CC1)C(=O)C1CC=CCC1C(=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 C19H23ClN2O3 MW 362.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23ClN2O3/c20-15-5-3-4-14(12-15)13-21-8-10-22(11-9-21)18(23)16-6-1-2-7-17(16)19(24)25/h1-5,12,16-17H,6-11,13H2,(H,24,25)
InChIKey
MKUFWNNCCCXWQI-UHFFFAOYSA-N
Synonyms

6((4((3CHLOROPHENYL)METHYL)PIPERAZINYL)CARBONYL)CYCLOHEX3ENECARBOXYLICACID
6((4(3chlorobenzyl)piperazin1yl)carbonyl)cyclohex3ene1carboxylicacid
6(4((3chlorophenyl)methyl)piperazine1carbonyl)cyclohex3ene1carboxylicacid
C1CN(CCN1CC2=CC(=CC=C2)Cl)C(=O)C3CC=CCC3C(=O)O
InChI=1SC19H23ClN2O3c201553414(1215)132181022(11921)18(23)16612717(16)19(24)25h15121617H61113H2(H2425)
MFCD06063739
ZINC000013737109
ZINC000013737114

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Available files

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