Vitas-M small molecule compound

3,3'-[(3-{[4-chloro-5-methyl-2-(propan-2-yl)phenoxy]methyl}-4-methoxyphenyl)methanediyl]bis(4-hydroxy-2H-chromen-2-one)

Catalog ID
STK530646
SMILES COc1ccc(cc1COc1cc(C)c(cc1C(C)C)Cl)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 C37H31ClO8 MW 639.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H31ClO8/c1-19(2)25-17-26(38)20(3)15-30(25)44-18-22-16-21(13-14-27(22)43-4)31(32-34(39)23-9-5-7-11-28(23)45-36(32)41)33-35(40)24-10-6-8-12-29(24)46-37(33)42/h5-17,19,31,39-40H,18H2,1-4H3
InChIKey
RPRUFDLVFFHTDM-UHFFFAOYSA-N
Synonyms

3((3((4CHLORO5METHYL2PROPAN2YLPHENOXY)METHYL)4METHOXYPHENYL)(2HYDROXY4OXOCHROMEN3YL)METHYL)2HYDROXYCHROMEN4ONE
3((3((4chloro5methyl2propan2ylphenoxy)methyl)4methoxyphenyl)(4hydroxy2oxochromen3yl)methyl)4hydroxychromen2one
33((3((4chloro2isopropyl5methylphenoxy)methyl)4methoxyphenyl)methylene)bis(4hydroxy2Hchromen2one)
33((3((4chloro5methyl2(propan2yl)phenoxy)methyl)4methoxyphenyl)methanediyl)bis(4hydroxy2Hchromen2one)
CC1=CC(=C(C=C1Cl)C(C)C)OCC2=C(C=CC(=C2)C(C3=C(C4=CC=CC=C4OC3=O)O)C5=C(C6=CC=CC=C6OC5=O)O)OC
InChI=1SC37H31ClO8c119(2)251726(38)20(3)1530(25)4418221621(131427(22)434)31(3234(39)239571128(23)4536(32)41)3335(40)2410681229(24)4637(33)42h51719313940H18H214H3
MFCD02238471
ZINC000150410808
ZINC150410808

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Available files

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