Vitas-M small molecule compound

methyl 3-[7-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-3-[4-(octyloxy)phenyl]propanoate

Catalog ID
STL542441
SMILES CCCCCCCCOc1ccc(cc1)C(c1c(O)ccc2c1occ(c2=O)c1ccc(cc1)O)CC(=O)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 C33H36O7 MW 544.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H36O7/c1-3-4-5-6-7-8-19-39-25-15-11-22(12-16-25)27(20-30(36)38-2)31-29(35)18-17-26-32(37)28(21-40-33(26)31)23-9-13-24(34)14-10-23/h9-18,21,27,34-35H,3-8,19-20H2,1-2H3
InChIKey
ZUXBPVNAONRSCD-UHFFFAOYSA-N
Synonyms
1574482-30-6
1574482306
71825678
InChI=1SC33H36O7c1345678193925151122(121625)27(2030(36)382)3129(35)18172632(37)28(214033(26)31)2391324(34)141023h91821273435H381920H212H3
methyl3(7hydroxy3(4hydroxyphenyl)4oxo4Hchromen8yl)3(4(octyloxy)phenyl)propanoate
methyl3(7hydroxy3(4hydroxyphenyl)4oxochromen8yl)3(4octoxyphenyl)propanoate
MFCD28051979
ZINC000097972094
ZINC000097972095

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Available files

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