Vitas-M small molecule compound
ethyl (2Z)-2-cyano-3-(5-ethyl-4-nitrothiophen-2-yl)prop-2-enoate
Catalog ID
STK400342
SMILES CCOC(=O)/C(=C\c1cc(c(s1)CC)[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 C12H12N2O4S MW 280.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H12N2O4S/c1-3-11-10(14(16)17)6-9(19-11)5-8(7-13)12(15)18-4-2/h5-6H,3-4H2,1-2H3/b8-5-InChIKey
JTIRLIQHVMGHMQ-YVMONPNESA-NSynonyms
329694-08-8329694088
CCC1=C(C=C(S1)C=C(C#N)C(=O)OCC)(N+)(=O)(O)
CCOC(=O)C(=Cc1cc(c(s1)CC)(N+)(=O)(O))C#N
ETHYL(2Z)2CYANO3(5ETHYL4NITRO(2THIENYL))PROP2ENOATE
ethyl(2Z)2cyano3(5ethyl4nitrothiophen2yl)prop2enoate
ETHYL(Z)2CYANO3(5ETHYL4NITROTHIOPHEN2YL)PROP2ENOATE
InChI=1SC12H12N2O4Sc131110(14(16)17)69(1911)58(713)12(15)1842h56H34H212H3b85
MFCD01118691
ZINC000000043815
ZINC00043815
ZINC43815
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