Vitas-M small molecule compound

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

Catalog ID
STK655459
SMILES N#Cc1nc(oc1NC1CC1)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 C15H13N3O4 MW 299.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13N3O4/c16-6-11-15(17-9-1-2-9)22-14(18-11)7-19-10-3-4-12-13(5-10)21-8-20-12/h3-5,9,17H,1-2,7-8H2
InChIKey
YJQGPSZTSNNPOC-UHFFFAOYSA-N
Synonyms
1144470-70-1
1144470701
2((13benzodioxol5yloxy)methyl)5(cyclopropylamino)13oxazole4carbonitrile
2((benzo(d)(13)dioxol5yloxy)methyl)5(cyclopropylamino)oxazole4carbonitrile
2(13benzodioxol5yloxymethyl)5(cyclopropylamino)13oxazole4carbonitrile
C1CC1NC2=C(N=C(O2)COC3=CC4=C(C=C3)OCO4)C#N
InChI=1SC15H13N3O4c1661115(179129)2214(1811)71910341213(510)2182012h35917H1278H2
MFCD12218039
ZINC000032104729
ZINC32104729

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Available files

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