Vitas-M small molecule compound
tetrahydrofuran-2-ylmethyl 4-(1,3-benzodioxol-5-yl)-7-[4-(dimethylamino)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK406511
SMILES CN(c1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1ccc2c(c1)OCO2)C(=O)OCC1CCCO1)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 C31H34N2O6 MW 530.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H34N2O6/c1-18-28(31(35)37-16-23-5-4-12-36-23)29(20-8-11-26-27(15-20)39-17-38-26)30-24(32-18)13-21(14-25(30)34)19-6-9-22(10-7-19)33(2)3/h6-11,15,21,23,29,32H,4-5,12-14,16-17H2,1-3H3InChIKey
BGUUGDUFSUXMES-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)N(C)C)C4=CC5=C(C=C4)OCO5)C(=O)OCC6CCCO6
InChI=1SC31H34N2O6c11828(31(35)37162354123623)29(208112627(1520)39173826)3024(3218)1321(1425(30)34)196922(10719)33(2)3h6111521232932H4512141617H213H3
MFCD06000594
oxolan2ylmethyl4(13benzodioxol5yl)7(4(dimethylamino)phenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
tetrahydrofuran2ylmethyl4(13benzodioxol5yl)7(4(dimethylamino)phenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
ZINC000020418870
ZINC000035824083
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