Vitas-M small molecule compound

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

Catalog ID
STK857173
SMILES CCCc1cc2c(cc1OC(=O)N(C)C)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 C24H25NO6 MW 423.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25NO6/c1-4-6-16-11-17-21(13-20(16)31-24(27)25(2)3)30-14-18(23(17)26)15-7-8-19-22(12-15)29-10-5-9-28-19/h7-8,11-14H,4-6,9-10H2,1-3H3
InChIKey
SLZOGMKDOZJWTJ-UHFFFAOYSA-N
Synonyms
637747-00-3
(3(2H3H4HBENZO(B)14DIOXEPAN7YL)4OXO6PROPYLCHROMEN7YLOXY)NNDIMETHYLCARBOXAMIDE
(3(34DIHYDRO2H15BENZODIOXEPIN7YL)4OXO6PROPYLCHROMEN7YL)NNDIMETHYLCARBAMATE
3(34dihydro2H15benzodioxepin7yl)4oxo6propyl4Hchromen7yldimethylcarbamate
3(34DIHYDRO2HBENZO(B)(14)DIOXEPIN7YL)4OXO6PROPYL4HCHROMEN7YLDIMETHYLCARBAMATE
637747003
CCCC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCCCO4)OC(=O)N(C)C
InChI=1SC24H25NO6c14616111721(1320(16)3124(27)25(2)3)301418(23(17)26)15781922(1215)2910592819h781114H46910H213H3
MFCD03660905
ZINC000001321572
ZINC01321572
ZINC1321572

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Available files

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