Vitas-M small molecule compound
propyl 4-(1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK067057
SMILES CCCOC(=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 C23H27NO5 MW 397.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27NO5/c1-5-8-27-22(26)19-13(2)24-15-10-23(3,4)11-16(25)21(15)20(19)14-6-7-17-18(9-14)29-12-28-17/h6-7,9,20,24H,5,8,10-12H2,1-4H3InChIKey
QZFQTBALAXBUTK-UHFFFAOYSA-NSynonyms
CCCOC(=O)C1=C(C)NC2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)(C)C
CCCOC(=O)C1=C(NC2=C(C1C3=CC4=C(C=C3)OCO4)C(=O)CC(C2)(C)C)C
InChI=1SC23H27NO5c1582722(26)1913(2)24151023(34)1116(25)21(15)20(19)14671718(914)29122817h6792024H581012H214H3
MFCD00770909
propyl4(13benzodioxol5yl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
propyl4(13benzodioxol5yl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
STK067057
ZINC000002063666
ZINC000002063667
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