Vitas-M small molecule compound

3-[({6-[(butan-2-yloxy)carbonyl]cyclohex-3-en-1-yl}carbonyl)amino]benzoic acid

Catalog ID
STK047172
SMILES CCC(OC(=O)C1CC=CCC1C(=O)Nc1cccc(c1)C(=O)O)C

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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 C19H23NO5 MW 345.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23NO5/c1-3-12(2)25-19(24)16-10-5-4-9-15(16)17(21)20-14-8-6-7-13(11-14)18(22)23/h4-8,11-12,15-16H,3,9-10H2,1-2H3,(H,20,21)(H,22,23)
InChIKey
LPBJSBYDQADWLR-UHFFFAOYSA-N
Synonyms

3(((6((BUTAN2YLOXY)CARBONYL)CYCLOHEX3EN1YL)CARBONYL)AMINO)BENZOICACID
3((6((METHYLPROPYL)OXYCARBONYL)CYCLOHEX3ENYL)CARBONYLAMINO)BENZOICACID
3((6BUTAN2YLOXYCARBONYLCYCLOHEX3ENE1CARBONYL)AMINO)BENZOICACID
CCC(C)OC(=O)C1CC=CCC1C(=O)NC2=CC=CC(=C2)C(=O)O
CCC(OC(=O)C1CC=CCC1C(=O)Nc1cccc(c1)C(=O)O)C
InChI=1SC19H23NO5c1312(2)2519(24)161054915(16)17(21)201486713(1114)18(22)23h4811121516H3910H212H3(H2021)(H2223)
MFCD02018299
STK047172
ZINC000000136043
ZINC000245253720

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Available files

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