Vitas-M small molecule compound

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

Catalog ID
STK007039
SMILES CCCCOC(=O)C1=C(C)NC2=C(C1c1ccc3c(c1)OCO3)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 C24H29NO5 MW 411.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H29NO5/c1-5-6-9-28-23(27)20-14(2)25-16-11-24(3,4)12-17(26)22(16)21(20)15-7-8-18-19(10-15)30-13-29-18/h7-8,10,21,25H,5-6,9,11-13H2,1-4H3
InChIKey
XBKXINSIFPYBIB-UHFFFAOYSA-N
Synonyms

butyl4(13benzodioxol5yl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
butyl4(13benzodioxol5yl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CCCCOC(=O)C1=C(C)NC2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)(C)C
CCCCOC(=O)C1=C(NC2=C(C1C3=CC4=C(C=C3)OCO4)C(=O)CC(C2)(C)C)C
InChI=1SC24H29NO5c15692823(27)2014(2)25161124(34)1217(26)22(16)21(20)15781819(1015)30132918h78102125H5691113H214H3
MFCD00619579
STK007039
ZINC000002066347
ZINC000017822305

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Available files

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