Vitas-M small molecule compound

dimethyl 3,3'-(2,5-dihydroxy-3,6-dioxocyclohexa-1,4-diene-1,4-diyl)bis[3-(5-oxo-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinolin-6-yl)propanoate]

Catalog ID
STL545326
SMILES COC(=O)CC(c1cc2cccc3c2n(c1=O)CCC3)C1=C(O)C(=O)C(=C(C1=O)O)C(c1cc2cccc3c2n(c1=O)CCC3)CC(=O)OC

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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 C38H34N2O10 MW 678.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H34N2O10/c1-49-27(41)17-23(25-15-21-9-3-7-19-11-5-13-39(31(19)21)37(25)47)29-33(43)35(45)30(36(46)34(29)44)24(18-28(42)50-2)26-16-22-10-4-8-20-12-6-14-40(32(20)22)38(26)48/h3-4,7-10,15-16,23-24,43,46H,5-6,11-14,17-18H2,1-2H3
InChIKey
CWSWDPHCQDLNGK-UHFFFAOYSA-N
Synonyms
1676077-57-8
102564972
1676077578
dimethyl33(25dihydroxy36dioxocyclohexa14diene14diyl)bis(3(3oxo3567tetrahydropyrido(321ij)quinolin2yl)propanoate)
dimethyl33(25dihydroxy36dioxocyclohexa14diene14diyl)bis(3(5oxo23dihydro1H5Hpyrido(321ij)quinolin6yl)propanoate)
InChI=1SC38H34N2O10c14927(41)1723(251521937191151339(31(19)21)37(25)47)2933(43)35(45)30(36(46)34(29)44)24(1828(42)502)2616221048201261440(32(20)22)38(26)48h34710151623244346H5611141718H212H3
methyl3(25dihydroxy4(3methoxy3oxo1(2oxo1azatricyclo(7310^(513))trideca35(13)68tetraen3yl)propyl)36dioxocyclohexa14dien1yl)3(2oxo1azatricyclo(7310^(513))trideca35(13)68tetraen3yl)propanoate
MFCD28985851
ZINC000218073631
ZINC000218073816

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Available files

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