Vitas-M small molecule compound

3-(2-methylphenyl)-1-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-prop-2-en-1-ylurea

Catalog ID
STK237480
SMILES C=CCN(C(=O)Nc1ccccc1C)Cc1onc(n1)c1cccc(c1)C

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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 C21H22N4O2 MW 362.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O2/c1-4-12-25(21(26)22-18-11-6-5-9-16(18)3)14-19-23-20(24-27-19)17-10-7-8-15(2)13-17/h4-11,13H,1,12,14H2,2-3H3,(H,22,26)
InChIKey
NBJALNLJPBCIQC-UHFFFAOYSA-N
Synonyms

3(2methylphenyl)1((3(3methylphenyl)124oxadiazol5yl)methyl)1prop2en1ylurea
3(2methylphenyl)1((3(3methylphenyl)124oxadiazol5yl)methyl)1prop2enylurea
CC1=CC=CC(=C1)C2=NOC(=N2)CN(CC=C)C(=O)NC3=CC=CC=C3C
InChI=1SC21H22N4O2c141225(21(26)22181165916(18)3)14192320(242719)17107815(2)1317h41113H11214H223H3(H2226)
MFCD07161572
ZINC000006743891
ZINC06743891
ZINC6743891

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Available files

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