Vitas-M small molecule compound

ethyl 4-(6-chloro-1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK066736
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1cc3OCOc3cc1Cl)C(=O)CC(C2)(C)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 C22H24ClNO5 MW 417.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24ClNO5/c1-5-27-21(26)18-11(2)24-14-8-22(3,4)9-15(25)20(14)19(18)12-6-16-17(7-13(12)23)29-10-28-16/h6-7,19,24H,5,8-10H2,1-4H3
InChIKey
GABKXHQVSHHAAE-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(C)NC2=C(C1c1cc3OCOc3cc1Cl)C(=O)CC(C2)(C)C
CCOC(=O)C1=C(NC2=C(C1C3=CC4=C(C=C3Cl)OCO4)C(=O)CC(C2)(C)C)C
ethyl4(6chloro13benzodioxol5yl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
ethyl4(6chloro13benzodioxol5yl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
InChI=1SC22H24ClNO5c152721(26)1811(2)2414822(34)915(25)20(14)19(18)1261617(713(12)23)29102816h671924H5810H214H3
MFCD00619514
STK066736
ZINC000000626375
ZINC000000626379

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Available files

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