Vitas-M small molecule compound
4-methoxybenzyl 2,7,7-trimethyl-5-oxo-4-(4-oxo-4H-chromen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK045379
SMILES COc1ccc(cc1)COC(=O)C1=C(C)NC2=C(C1c1coc3c(c1=O)cccc3)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 C30H29NO6 MW 499.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H29NO6/c1-17-25(29(34)37-15-18-9-11-19(35-4)12-10-18)26(27-22(31-17)13-30(2,3)14-23(27)32)21-16-36-24-8-6-5-7-20(24)28(21)33/h5-12,16,26,31H,13-15H2,1-4H3InChIKey
XTSKSCGALPXUKH-UHFFFAOYSA-NSynonyms
(4methoxyphenyl)methyl277trimethyl5oxo4(4oxochromen3yl)1468tetrahydroquinoline3carboxylate
4methoxybenzyl277trimethyl5oxo4(4oxo4Hchromen3yl)145678hexahydroquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=COC4=CC=CC=C4C3=O)C(=O)OCC5=CC=C(C=C5)OC
COc1ccc(cc1)COC(=O)C1=C(C)NC2=C(C1c1coc3c(c1=O)cccc3)C(=O)CC(C2)(C)C
InChI=1SC30H29NO6c11725(29(34)37151891119(354)121018)26(2722(3117)1330(23)1423(27)32)21163624865720(24)28(21)33h512162631H1315H214H3
MFCD01824519
STK045379
ZINC000000801170
ZINC000000801171
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