Vitas-M small molecule compound
propan-2-yl (2Z)-2-cyano-3-(5-ethyl-4-nitrothiophen-2-yl)prop-2-enoate
Catalog ID
STK400355
SMILES N#C/C(=C/c1sc(c(c1)[N+](=O)[O-])CC)/C(=O)OC(C)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 C13H14N2O4S MW 294.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14N2O4S/c1-4-12-11(15(17)18)6-10(20-12)5-9(7-14)13(16)19-8(2)3/h5-6,8H,4H2,1-3H3/b9-5-InChIKey
QVAIXVCUOPCARE-UITAMQMPSA-NSynonyms
570416-82-9570416829
CCC1=C(C=C(S1)C=C(C#N)C(=O)OC(C)C)(N+)(=O)(O)
InChI=1SC13H14N2O4Sc141211(15(17)18)610(2012)59(714)13(16)198(2)3h568H4H213H3b95
MFCD01118692
N#CC(=Cc1sc(c(c1)(N+)(=O)(O))CC)C(=O)OC(C)C
propan2yl(2Z)2cyano3(5ethyl4nitrothiophen2yl)prop2enoate
PROPAN2YL(Z)2CYANO3(5ETHYL4NITROTHIOPHEN2YL)PROP2ENOATE
ZINC000002729180
ZINC02729180
ZINC2729180
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