Vitas-M small molecule compound

3-(1,3-benzodioxol-5-ylmethyl)-5,7-dimethyl-3,4-dihydro-2H-1,3-benzoxazine

Catalog ID
STK405049
SMILES Cc1cc(C)c2c(c1)OCN(C2)Cc1ccc2c(c1)OCO2

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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 C18H19NO3 MW 297.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19NO3/c1-12-5-13(2)15-9-19(10-20-17(15)6-12)8-14-3-4-16-18(7-14)22-11-21-16/h3-7H,8-11H2,1-2H3
InChIKey
VQZKWQIGPOUMPX-UHFFFAOYSA-N
Synonyms

3(13BENZODIOXOL5YLMETHYL)57DIMETHYL24DIHYDRO13BENZOXAZINE
3(13benzodioxol5ylmethyl)57dimethyl34dihydro2H13benzoxazine
5((57DIMETHYL2H4HBENZO(E)13OXAZAPERHYDROIN3YL)METHYL)2HBENZO(D)13DIOXOLENE
CC1=CC(=C2CN(COC2=C1)CC3=CC4=C(C=C3)OCO4)C
InChI=1SC18H19NO3c112513(2)15919(102017(15)612)814341618(714)22112116h37H811H212H3
MFCD03829873
ZINC000054991652
ZINC54991652

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Available files

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