Vitas-M small molecule compound
2-chloroethyl (2E)-2-cyano-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enoate
Catalog ID
STK952389
SMILES ClCCOC(=O)/C(=C/c1ccc(o1)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 C16H11ClN2O5 MW 346.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11ClN2O5/c17-7-8-23-16(20)12(10-18)9-14-5-6-15(24-14)11-1-3-13(4-2-11)19(21)22/h1-6,9H,7-8H2/b12-9+InChIKey
WQVAMNSZUQBWIO-FMIVXFBMSA-NSynonyms
301339-94-62CHLOROETHYL(2E)2CYANO3(5(4NITROPHENYL)(2FURYL))PROP2ENOATE
2chloroethyl(2E)2cyano3(5(4nitrophenyl)furan2yl)prop2enoate
2CHLOROETHYL(E)2CYANO3(5(4NITROPHENYL)FURAN2YL)PROP2ENOATE
2CYANO3(5(4NITROPHENYL)FURAN2YL)ACRYLICACID2CHLOROETHYLESTER
301339946
C1=CC(=CC=C1C2=CC=C(O2)C=C(C#N)C(=O)OCCCl)(N+)(=O)(O)
ClCCOC(=O)C(=Cc1ccc(o1)c1ccc(cc1)(N+)(=O)(O))C#N
InChI=1SC16H11ClN2O5c17782316(20)12(1018)9145615(2414)111313(4211)19(21)22h169H78H2b129+
MFCD01918525
ZINC000002669521
ZINC02669521
ZINC2669521
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