Vitas-M small molecule compound
1-cyano-2-phenylpropan-2-yl 4-nitrobenzoate
Catalog ID
STK040043
SMILES N#CCC(c1ccccc1)(OC(=O)c1ccc(cc1)[N+](=O)[O-])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 C17H14N2O4 MW 310.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14N2O4/c1-17(11-12-18,14-5-3-2-4-6-14)23-16(20)13-7-9-15(10-8-13)19(21)22/h2-10H,11H2,1H3InChIKey
CMAFAVRQEBZKRT-UHFFFAOYSA-NSynonyms
304869-55-4(1CYANO2PHENYLPROPAN2YL)4NITROBENZOATE
1CYANO2PHENYLPROPAN2YL4NITROBENZOATE
304869554
CC(CC#N)(C1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)(N+)(=O)(O)
InChI=1SC17H14N2O4c117(111218145324614)2316(20)137915(10813)19(21)22h210H11H21H3
MFCD00396917
N#CCC(c1ccccc1)(OC(=O)c1ccc(cc1)(N+)(=O)(O))C
STK040043
ZINC000000254647
ZINC000000254652
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