Vitas-M small molecule compound
3-oxo-3-[4-(propan-2-yl)phenyl]propanenitrile
Catalog ID
STL253532
SMILES CC(c1ccc(cc1)C(=O)CC#N)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 C12H13NO MW 187.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13NO/c1-9(2)10-3-5-11(6-4-10)12(14)7-8-13/h3-6,9H,7H2,1-2H3InChIKey
WHPGQMYJLCNLLE-UHFFFAOYSA-NSynonyms
199102-70-0(4ISOPROPYLBENZOYL)ACETONITRILE
199102700
3(4ISOPROPYLPHENYL)3OXOPROPANENITRILE
3oxo3(4(propan2yl)phenyl)propanenitrile
3OXO3(4PROPAN2YLPHENYL)PROPANENITRILE
CC(C)C1=CC=C(C=C1)C(=O)CC#N
InChI=1SC12H13NOc19(2)103511(6410)12(14)7813h369H7H212H3
MFCD06357384
PISOPROPYLBENZOYLACETONITRILE
ZINC000003887909
ZINC03887909
ZINC3887909
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