Vitas-M small molecule compound

2-{5-[bis(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]-2-methoxybenzyl}-1H-isoindole-1,3(2H)-dione

Catalog ID
STL052121
SMILES COc1ccc(cc1CN1C(=O)c2c(C1=O)cccc2)C(c1c(=O)oc2c(c1O)cccc2)c1c(=O)oc2c(c1O)cccc2

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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 C35H23NO9 MW 601.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H23NO9/c1-43-24-15-14-18(16-19(24)17-36-32(39)20-8-2-3-9-21(20)33(36)40)27(28-30(37)22-10-4-6-12-25(22)44-34(28)41)29-31(38)23-11-5-7-13-26(23)45-35(29)42/h2-16,27,37-38H,17H2,1H3
InChIKey
JSNXZOXEYBZSRJ-UHFFFAOYSA-N
Synonyms

2((5(BIS(2HYDROXY4OXOCHROMEN3YL)METHYL)2METHOXYPHENYL)METHYL)ISOINDOLE13DIONE
2((5(bis(4hydroxy2oxochromen3yl)methyl)2methoxyphenyl)methyl)isoindole13dione
2(5(bis(4hydroxy2oxo2Hchromen3yl)methyl)2methoxybenzyl)1Hisoindole13(2H)dione
2(5(bis(4hydroxy2oxo2Hchromen3yl)methyl)2methoxybenzyl)isoindoline13dione
COC1=C(C=C(C=C1)C(C2=C(C3=CC=CC=C3OC2=O)O)C4=C(C5=CC=CC=C5OC4=O)O)CN6C(=O)C7=CC=CC=C7C6=O
InChI=1SC35H23NO9c14324151418(1619(24)173632(39)20823921(20)33(36)40)27(2830(37)2210461225(22)4434(28)41)2931(38)2311571326(23)4535(29)42h216273738H17H21H3
MFCD02163798
ZINC000102889930
ZINC102889930

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Available files

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