Vitas-M small molecule compound

3,3'-({4-methoxy-3-[(4-nitrophenoxy)methyl]phenyl}methanediyl)bis(4-hydroxy-2H-chromen-2-one)

Catalog ID
STK527591
SMILES COc1ccc(cc1COc1ccc(cc1)[N+](=O)[O-])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 C33H23NO10 MW 593.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H23NO10/c1-41-24-15-10-18(16-19(24)17-42-21-13-11-20(12-14-21)34(39)40)27(28-30(35)22-6-2-4-8-25(22)43-32(28)37)29-31(36)23-7-3-5-9-26(23)44-33(29)38/h2-16,27,35-36H,17H2,1H3
InChIKey
OEUWDTAJQOYGOR-UHFFFAOYSA-N
Synonyms

2HYDROXY3((2HYDROXY4OXOCHROMEN3YL)(4METHOXY3((4NITROPHENOXY)METHYL)PHENYL)METHYL)CHROMEN4ONE
33((4methoxy3((4nitrophenoxy)methyl)phenyl)methanediyl)bis(4hydroxy2Hchromen2one)
33((4methoxy3((4nitrophenoxy)methyl)phenyl)methylene)bis(4hydroxy2Hchromen2one)
4hydroxy3((4hydroxy2oxochromen3yl)(4methoxy3((4nitrophenoxy)methyl)phenyl)methyl)chromen2one
COC1=C(C=C(C=C1)C(C2=C(C3=CC=CC=C3OC2=O)O)C4=C(C5=CC=CC=C5OC4=O)O)COC6=CC=C(C=C6)(N+)(=O)(O)
COc1ccc(cc1COc1ccc(cc1)(N+)(=O)(O))C(c1c(=O)oc2c(c1O)cccc2)c1c(=O)oc2c(c1O)cccc2
InChI=1SC33H23NO10c14124151018(1619(24)174221131120(121421)34(39)40)27(2830(35)22624825(22)4332(28)37)2931(36)23735926(23)4433(29)38h216273536H17H21H3
MFCD02163276
ZINC000102403616
ZINC102403616

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Available files

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