Vitas-M small molecule compound
methyl 4-(1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK363153
SMILES COC(=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 C21H23NO5 MW 369.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23NO5/c1-11-17(20(24)25-4)18(12-5-6-15-16(7-12)27-10-26-15)19-13(22-11)8-21(2,3)9-14(19)23/h5-7,18,22H,8-10H2,1-4H3InChIKey
KZTTVJBAIMBZLD-UHFFFAOYSA-NSynonyms
126342-57-2126342572
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC4=C(C=C3)OCO4)C(=O)OC
InChI=1SC21H23NO5c11117(20(24)254)18(12561516(712)27102615)1913(2211)821(23)914(19)23h571822H810H214H3
methyl4(13benzodioxol5yl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
methyl4(13benzodioxol5yl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
MFCD00219313
ZINC000000628834
ZINC000000628837
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