Vitas-M small molecule compound

2-[(1,3-benzodioxol-5-yloxy)methyl]-5-(methylamino)-1,3-oxazole-4-carbonitrile

Catalog ID
STK655415
SMILES CNc1oc(nc1C#N)COc1ccc2c(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 C13H11N3O4 MW 273.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H11N3O4/c1-15-13-9(5-14)16-12(20-13)6-17-8-2-3-10-11(4-8)19-7-18-10/h2-4,15H,6-7H2,1H3
InChIKey
QOEPWNKWUJYECX-UHFFFAOYSA-N
Synonyms
1144431-12-8
1144431128
2((13benzodioxol5yloxy)methyl)5(methylamino)13oxazole4carbonitrile
2((benzo(d)(13)dioxol5yloxy)methyl)5(methylamino)oxazole4carbonitrile
2(13benzodioxol5yloxymethyl)5(methylamino)13oxazole4carbonitrile
CNC1=C(N=C(O1)COC2=CC3=C(C=C2)OCO3)C#N
InChI=1SC13H11N3O4c115139(514)1612(2013)6178231011(48)1971810h2415H67H21H3
MFCD12212052
ZINC000032073848
ZINC32073848

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Available files

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