Vitas-M small molecule compound

methyl N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)valinate

Catalog ID
STL345559
SMILES COC(=O)C(C(C)C)NC(=O)Nc1ccc2c(c1)OCCO2

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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 C15H20N2O5 MW 308.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H20N2O5/c1-9(2)13(14(18)20-3)17-15(19)16-10-4-5-11-12(8-10)22-7-6-21-11/h4-5,8-9,13H,6-7H2,1-3H3,(H2,16,17,19)
InChIKey
SENAJFYSYBCLRB-UHFFFAOYSA-N
Synonyms

(S)methyl2(3(23dihydrobenzo(b)(14)dioxin6yl)ureido)3methylbutanoate
CC(C)C(C(=O)OC)NC(=O)NC1=CC2=C(C=C1)OCCO2
COC(=O)(C@H)(C(C)C)NC(=O)Nc1ccc2c(c1)OCCO2
InChI=1SC15H20N2O5c19(2)13(14(18)203)1715(19)1610451112(810)22762111h458913H67H213H3(H2161719)
METHYL2(23DIHYDRO14BENZODIOXIN6YLCARBAMOYLAMINO)3METHYLBUTANOATE
methylN(23dihydro14benzodioxin6ylcarbamoyl)valinate
MFCD28032178
ZINC000004301609
ZINC000006358777

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Available files

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