Vitas-M small molecule compound

propyl 7-(2-methoxyphenyl)-2-methyl-5-oxo-4-(4-oxo-4H-chromen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK402981
SMILES CCCOC(=O)C1=C(C)NC2=C(C1c1coc3c(c1=O)cccc3)C(=O)CC(C2)c1ccccc1OC

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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/c1-4-13-36-30(34)26-17(2)31-22-14-18(19-9-5-7-11-24(19)35-3)15-23(32)28(22)27(26)21-16-37-25-12-8-6-10-20(25)29(21)33/h5-12,16,18,27,31H,4,13-15H2,1-3H3
InChIKey
YCIHPVQQFDYUGI-UHFFFAOYSA-N
Synonyms

CCCOC(=O)C1=C(NC2=C(C1C3=COC4=CC=CC=C4C3=O)C(=O)CC(C2)C5=CC=CC=C5OC)C
InChI=1SC30H29NO6c14133630(34)2617(2)31221418(199571124(19)353)1523(32)28(22)27(26)2116372512861020(25)29(21)33h51216182731H41315H213H3
MFCD03145550
propyl7(2methoxyphenyl)2methyl5oxo4(4oxo4Hchromen3yl)145678hexahydroquinoline3carboxylate
propyl7(2methoxyphenyl)2methyl5oxo4(4oxochromen3yl)4678tetrahydro1Hquinoline3carboxylate
ZINC000002727220
ZINC000002727223

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Available files

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