Vitas-M small molecule compound

methyl 3-[3-acetyl-2,6-dihydroxy-5-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)phenyl]-3-(4-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-5-yl)propanoate

Catalog ID
STL548415
SMILES COC(=O)CC(c1cc2cccc3c2n(c1=O)CC3)c1c(O)c(cc(c1O)C1OCc2c1c(O)c(nc2)C)C(=O)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 C31H28N2O8 MW 556.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28N2O8/c1-14-27(36)24-18(12-32-14)13-41-30(24)22-10-19(15(2)34)28(37)25(29(22)38)20(11-23(35)40-3)21-9-17-6-4-5-16-7-8-33(26(16)17)31(21)39/h4-6,9-10,12,20,30,36-38H,7-8,11,13H2,1-3H3
InChIKey
QNHBZTRUTWOVNJ-UHFFFAOYSA-N
Synonyms

129895093
InChI=1SC31H28N2O8c11427(36)2418(123214)134130(24)221019(15(2)34)28(37)25(29(22)38)20(1123(35)403)21917645167833(26(16)17)31(21)39h469101220303638H781113H213H3
methyl3(3acetyl26dihydroxy5(7hydroxy6methyl13dihydrofuro(34c)pyridin1yl)phenyl)3(11oxo1azatricyclo(6310^(412))dodeca468(12)9tetraen10yl)propanoate
methyl3(3acetyl26dihydroxy5(7hydroxy6methyl13dihydrofuro(34c)pyridin1yl)phenyl)3(4oxo12dihydro4Hpyrrolo(321ij)quinolin5yl)propanoate
methyl3(3acetyl26dihydroxy5(7hydroxy6methyl13dihydrofuro(34c)pyridin1yl)phenyl)3(4oxo24dihydro1Hpyrrolo(321ij)quinolin5yl)propanoate
MFCD31756751
ZINC000524729995
ZINC000524729998

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Available files

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