Vitas-M small molecule compound
2-cyano-1-phenylpropyl 4-nitrobenzoate
Catalog ID
STK004584
SMILES CC(C(c1ccccc1)OC(=O)c1ccc(cc1)[N+](=O)[O-])C#N
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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 C17H14N2O4 MW 310.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14N2O4/c1-12(11-18)16(13-5-3-2-4-6-13)23-17(20)14-7-9-15(10-8-14)19(21)22/h2-10,12,16H,1H3InChIKey
UIWLURVYPLESMT-UHFFFAOYSA-NSynonyms
368434-61-1(2CYANO1PHENYLPROPYL)4NITROBENZOATE
2CYANO1PHENYLPROPYL4NITROBENZOATE
368434611
CC(C#N)C(C1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)(N+)(=O)(O)
CC(C(c1ccccc1)OC(=O)c1ccc(cc1)(N+)(=O)(O))C#N
InChI=1SC17H14N2O4c112(1118)16(135324613)2317(20)147915(10814)19(21)22h2101216H1H3
MFCD00396918
STK004584
ZINC000000494251
ZINC000000494254
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