Vitas-M small molecule compound
3-(1,3-benzodioxol-5-yl)-3-phenylpropanenitrile
Catalog ID
STK084102
SMILES N#CCC(c1ccc2c(c1)OCO2)c1ccccc1
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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 C16H13NO2 MW 251.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13NO2/c17-9-8-14(12-4-2-1-3-5-12)13-6-7-15-16(10-13)19-11-18-15/h1-7,10,14H,8,11H2InChIKey
LWJBRGFHRUMKQK-UHFFFAOYSA-NSynonyms
355822-46-73(13BENZODIOXOL5YL)3PHENYLPROPANENITRILE
3(2HBENZO(34D)13DIOXOLAN5YL)3PHENYLPROPANENITRILE
3(benzo(d)(13)dioxol5yl)3phenylpropanenitrile
355822467
3BENZO(13)DIOXOL5YL3PHENYLPROPIONITRILE
C1OC2=C(O1)C=C(C=C2)C(CC#N)C3=CC=CC=C3
InChI=1SC16H13NO2c179814(124213512)13671516(1013)19111815h171014H811H2
MFCD02187608
N#CCC(c1ccc2c(c1)OCO2)c1ccccc1
STK084102
ZINC000000536054
ZINC000000536055
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