Vitas-M small molecule compound

3-{[4-(2-chlorobenzyl)piperazin-1-yl]carbonyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid

Catalog ID
STK474410
SMILES O=C(C1C2C=CC(C1C(=O)O)O2)N1CCN(CC1)Cc1ccccc1Cl

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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 C19H21ClN2O4 MW 376.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21ClN2O4/c20-13-4-2-1-3-12(13)11-21-7-9-22(10-8-21)18(23)16-14-5-6-15(26-14)17(16)19(24)25/h1-6,14-17H,7-11H2,(H,24,25)
InChIKey
YUDXADLVTPJLBW-UHFFFAOYSA-N
Synonyms

2(4((2chlorophenyl)methyl)piperazine1carbonyl)7oxabicyclo(221)hept5ene3carboxylicacid
3((4((2CHLOROPHENYL)METHYL)PIPERAZINYL)CARBONYL)7OXABICYCLO(221)HEPT5ENE2CARBOXYLICACID
3((4(2chlorobenzyl)piperazin1yl)carbonyl)7oxabicyclo(221)hept5ene2carboxylicacid
C1CN(CCN1CC2=CC=CC=C2Cl)C(=O)C3C4C=CC(C3C(=O)O)O4
InChI=1SC19H21ClN2O4c2013421312(13)11217922(10821)18(23)16145615(2614)17(16)19(24)25h161417H711H2(H2425)
MFCD06063533
ZINC000225784578
ZINC000239433942

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Available files

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