Vitas-M small molecule compound
benzyl 4-(2-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK370762
SMILES CCOc1ccccc1C1C(=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 C28H31NO4 MW 445.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31NO4/c1-5-32-23-14-10-9-13-20(23)25-24(27(31)33-17-19-11-7-6-8-12-19)18(2)29-21-15-28(3,4)16-22(30)26(21)25/h6-14,25,29H,5,15-17H2,1-4H3InChIKey
UGYIHEJMGSWRPB-UHFFFAOYSA-NSynonyms
benzyl4(2ethoxyphenyl)277trimethyl5oxo145678hexahydroquinoline3carboxylate
benzyl4(2ethoxyphenyl)277trimethyl5oxo1468tetrahydroquinoline3carboxylate
CCOC1=CC=CC=C1C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OCC4=CC=CC=C4)C
InChI=1SC28H31NO4c153223141091320(23)2524(27(31)331719117681219)18(2)29211528(34)1622(30)26(21)25h6142529H51517H214H3
MFCD00315338
ZINC000000832174
ZINC000000832175
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