Vitas-M small molecule compound

methyl 3-[7-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-3-[4-methoxy-3-(propan-2-yloxy)phenyl]propanoate

Catalog ID
STL540512
SMILES COC(=O)CC(c1c(O)ccc2c1occ(c2=O)c1ccc(cc1)O)c1ccc(c(c1)OC(C)C)OC

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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 C29H28O8 MW 504.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28O8/c1-16(2)37-25-13-18(7-12-24(25)34-3)21(14-26(32)35-4)27-23(31)11-10-20-28(33)22(15-36-29(20)27)17-5-8-19(30)9-6-17/h5-13,15-16,21,30-31H,14H2,1-4H3
InChIKey
XHEOIOMNIWDMFY-UHFFFAOYSA-N
Synonyms
1574484-83-5
1574484835
71827055
InChI=1SC29H28O8c116(2)37251318(71224(25)343)21(1426(32)354)2723(31)11102028(33)22(153629(20)27)175819(30)9617h5131516213031H14H214H3
METHYL3(7HYDROXY3(4HYDROXYPHENYL)4OXO4HCHROMEN8YL)3(3ISOPROPOXY4METHOXYPHENYL)PROPANOATE
methyl3(7hydroxy3(4hydroxyphenyl)4oxo4Hchromen8yl)3(4methoxy3(propan2yloxy)phenyl)propanoate
methyl3(7hydroxy3(4hydroxyphenyl)4oxochromen8yl)3(4methoxy3propan2yloxyphenyl)propanoate
MFCD28050861
ZINC000096114253
ZINC000096114254

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Available files

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