Vitas-M small molecule compound
benzyl 4-(1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK372348
SMILES O=C(C1=C(C)NC2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)(C)C)OCc1ccccc1
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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 C27H27NO5 MW 445.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27NO5/c1-16-23(26(30)31-14-17-7-5-4-6-8-17)24(18-9-10-21-22(11-18)33-15-32-21)25-19(28-16)12-27(2,3)13-20(25)29/h4-11,24,28H,12-15H2,1-3H3InChIKey
CWHOIMYCJBRIGY-UHFFFAOYSA-NSynonyms
benzyl4(13benzodioxol5yl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
benzyl4(13benzodioxol5yl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC4=C(C=C3)OCO4)C(=O)OCC5=CC=CC=C5
InChI=1SC27H27NO5c11623(26(30)3114177546817)24(189102122(1118)33153221)2519(2816)1227(23)1320(25)29h4112428H1215H213H3
MFCD00625121
ZINC000019228306
ZINC000019228309
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