Vitas-M small molecule compound

3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-ethyl-2-methyl-4-oxo-4H-chromen-7-yl 3-methoxybenzoate

Catalog ID
STK631045
SMILES CCc1cc2c(cc1OC(=O)c1cccc(c1)OC)oc(c(c2=O)c1ccc2c(c1)OCCCO2)C

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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 C29H26O7 MW 486.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H26O7/c1-4-18-14-22-25(16-24(18)36-29(31)20-7-5-8-21(13-20)32-3)35-17(2)27(28(22)30)19-9-10-23-26(15-19)34-12-6-11-33-23/h5,7-10,13-16H,4,6,11-12H2,1-3H3
InChIKey
CYWALUFSXPBCDR-UHFFFAOYSA-N
Synonyms
610754-29-5
(3(34DIHYDRO2H15BENZODIOXEPIN7YL)6ETHYL2METHYL4OXOCHROMEN7YL)3METHOXYBENZOATE
3(2H3H4HBENZO(B)14DIOXEPAN7YL)6ETHYL2METHYL4OXOCHROMEN7YL3METHOXYBENZOATE
3(34dihydro2H15benzodioxepin7yl)6ethyl2methyl4oxo4Hchromen7yl3methoxybenzoate
3(34dihydro2Hbenzo(b)(14)dioxepin7yl)6ethyl2methyl4oxo4Hchromen7yl3methoxybenzoate
610754295
CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C)C3=CC4=C(C=C3)OCCCO4)OC(=O)C5=CC(=CC=C5)OC
InChI=1SC29H26O7c1418142225(1624(18)3629(31)2075821(1320)323)3517(2)27(28(22)30)199102326(1519)34126113323h57101316H461112H213H3
MFCD03696032
ZINC000002107429
ZINC02107429
ZINC2107429

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Available files

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