Vitas-M small molecule compound
benzyl 4-(2-butoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK372345
SMILES CCCCOc1ccccc1C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)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 C30H35NO4 MW 473.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H35NO4/c1-5-6-16-34-25-15-11-10-14-22(25)27-26(29(33)35-19-21-12-8-7-9-13-21)20(2)31-23-17-30(3,4)18-24(32)28(23)27/h7-15,27,31H,5-6,16-19H2,1-4H3InChIKey
PNOPOUOJQRBBES-UHFFFAOYSA-NSynonyms
benzyl4(2butoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
benzyl4(2butoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CCCCOC1=CC=CC=C1C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OCC4=CC=CC=C4)C
InChI=1SC30H35NO4c1561634251511101422(25)2726(29(33)351921128791321)20(2)31231730(34)1824(32)28(23)27h7152731H561619H214H3
MFCD00717826
ZINC000004061924
ZINC000004061928
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