Vitas-M small molecule compound

3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-6-propyl-4H-chromen-7-yl 3,4,5-trimethoxybenzoate

Catalog ID
STK888648
SMILES CCCc1cc2c(cc1OC(=O)c1cc(OC)c(c(c1)OC)OC)occ(c2=O)c1ccc2c(c1)OCCCO2

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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 C31H30O9 MW 546.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30O9/c1-5-7-19-12-21-25(16-24(19)40-31(33)20-14-27(34-2)30(36-4)28(15-20)35-3)39-17-22(29(21)32)18-8-9-23-26(13-18)38-11-6-10-37-23/h8-9,12-17H,5-7,10-11H2,1-4H3
InChIKey
JCRCCVFQDBFAIM-UHFFFAOYSA-N
Synonyms
618389-06-3
(3(34DIHYDRO2H15BENZODIOXEPIN7YL)4OXO6PROPYLCHROMEN7YL)345TRIMETHOXYBENZOATE
3(2H3H4HBENZO(B)14DIOXEPAN7YL)4OXO6PROPYLCHROMEN7YL345TRIMETHOXYBENZOATE
3(34dihydro2H15benzodioxepin7yl)4oxo6propyl4Hchromen7yl345trimethoxybenzoate
3(34dihydro2Hbenzo(b)(14)dioxepin7yl)4oxo6propyl4Hchromen7yl345trimethoxybenzoate
618389063
CCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCCCO4)OC(=O)C5=CC(=C(C(=C5)OC)OC)OC
InChI=1SC31H30O9c15719122125(1624(19)4031(33)201427(342)30(364)28(1520)353)391722(29(21)32)18892326(1318)38116103723h891217H571011H214H3
MFCD03851170
ZINC000002148455
ZINC2148455

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Available files

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