Vitas-M small molecule compound
4-methoxybenzyl 2,7,7-trimethyl-4-(6-methyl-4-oxo-4H-chromen-3-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK097940
SMILES COc1ccc(cc1)COC(=O)C1=C(C)NC2=C(C1c1coc3c(c1=O)cc(cc3)C)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 C31H31NO6 MW 513.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31NO6/c1-17-6-11-25-21(12-17)29(34)22(16-37-25)27-26(30(35)38-15-19-7-9-20(36-5)10-8-19)18(2)32-23-13-31(3,4)14-24(33)28(23)27/h6-12,16,27,32H,13-15H2,1-5H3InChIKey
CUWGFIROEAJKRQ-UHFFFAOYSA-NSynonyms
(4methoxyphenyl)methyl277trimethyl4(6methyl4oxochromen3yl)5oxo1468tetrahydroquinoline3carboxylate
4methoxybenzyl277trimethyl4(6methyl4oxo4Hchromen3yl)5oxo145678hexahydroquinoline3carboxylate
CC1=CC2=C(C=C1)OC=C(C2=O)C3C4=C(CC(CC4=O)(C)C)NC(=C3C(=O)OCC5=CC=C(C=C5)OC)C
COc1ccc(cc1)COC(=O)C1=C(C)NC2=C(C1c1coc3c(c1=O)cc(cc3)C)C(=O)CC(C2)(C)C
InChI=1SC31H31NO6c1176112521(1217)29(34)22(163725)2726(30(35)3815197920(365)10819)18(2)32231331(34)1424(33)28(23)27h612162732H1315H215H3
MFCD02188020
STK097940
ZINC000009730737
ZINC000009730738
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