Vitas-M small molecule compound

methyl 3-(6-{[6,7-dimethoxy-1-(3,4,5-trimethoxyphenyl)-3,4-dihydroisoquinolin-2(1H)-yl]methyl}-3-hydroxy-4-oxo-4H-pyran-2-yl)-3-(4-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-5-yl)propanoate

Catalog ID
STL549223
SMILES COC(=O)CC(c1cc2cccc3c2n(c1=O)CC3)c1oc(CN2CCc3c(C2c2cc(OC)c(c(c2)OC)OC)cc(c(c3)OC)OC)cc(=O)c1O

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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 C41H42N2O11 MW 738.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C41H42N2O11/c1-48-31-15-23-10-12-42(37(27(23)19-32(31)49-2)25-16-33(50-3)40(53-6)34(17-25)51-4)21-26-18-30(44)38(46)39(54-26)28(20-35(45)52-5)29-14-24-9-7-8-22-11-13-43(36(22)24)41(29)47/h7-9,14-19,28,37,46H,10-13,20-21H2,1-6H3
InChIKey
NVFNTGUSAOVCMI-UHFFFAOYSA-N
Synonyms

110207359
InChI=1SC41H42N2O11c148311523101242(37(27(23)1932(31)492)251633(503)40(536)34(1725)514)21261830(44)38(46)39(5426)28(2035(45)525)29142497822111343(36(22)24)41(29)47h791419283746H10132021H216H3
methyl3(6((67dimethoxy1(345trimethoxyphenyl)34dihydro1~(H)isoquinolin2yl)methyl)3hydroxy4oxopyran2yl)3(11oxo1azatricyclo(6310^(412))dodeca468(12)9tetraen10yl)propanoate
methyl3(6((67dimethoxy1(345trimethoxyphenyl)34dihydroisoquinolin2(1H)yl)methyl)3hydroxy4oxo4Hpyran2yl)3(4oxo12dihydro4Hpyrrolo(321ij)quinolin5yl)propanoate
METHYL3(6((67DIMETHOXY1(345TRIMETHOXYPHENYL)34DIHYDROISOQUINOLIN2(1H)YL)METHYL)3HYDROXY4OXO4HPYRAN2YL)3(4OXO24DIHYDRO1HPYRROLO(321IJ)QUINOLIN5YL)PROPANOATE
MFCD29056122
ZINC000253410844
ZINC000253410849

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.