Vitas-M small molecule compound
4-[(1E)-1-chloro-1-(4-methylphenyl)-3-oxoprop-1-en-2-yl]-5-nitrobenzene-1,2-dicarbonitrile
Catalog ID
STL434788
SMILES O=C/C(=C(\c1ccc(cc1)C)/Cl)/c1cc(C#N)c(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 C18H10ClN3O3 MW 351.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H10ClN3O3/c1-11-2-4-12(5-3-11)18(19)16(10-23)15-6-13(8-20)14(9-21)7-17(15)22(24)25/h2-7,10H,1H3/b18-16-InChIKey
FXSAZBSTKUICDQ-VLGSPTGOSA-NSynonyms
4((1E)1chloro1(4methylphenyl)3oxoprop1en2yl)5nitrobenzene12dicarbonitrile
4((E)1chloro1(4methylphenyl)3oxoprop1en2yl)5nitrobenzene12dicarbonitrile
CC1=CC=C(C=C1)C(=C(C=O)C2=C(C=C(C(=C2)C#N)C#N)(N+)(=O)(O))Cl
InChI=1SC18H10ClN3O3c1112412(5311)18(19)16(1023)15613(820)14(921)717(15)22(24)25h2710H1H3b1816
MFCD30711416
O=CC(=C(c1ccc(cc1)C)Cl)c1cc(C#N)c(cc1(N+)(=O)(O))C#N
ZINC000096336797
ZINC96336797
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