Vitas-M small molecule compound
(3E)-4-(1,2-dimethyl-5-nitro-1H-indol-3-yl)but-3-en-2-one
Catalog ID
STK832835
SMILES CC(=O)/C=C/c1c(C)n(c2c1cc(cc2)[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 C14H14N2O3 MW 258.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H14N2O3/c1-9(17)4-6-12-10(2)15(3)14-7-5-11(16(18)19)8-13(12)14/h4-8H,1-3H3/b6-4+InChIKey
XLVIGEBFCJZSCX-GQCTYLIASA-NSynonyms
(3E)4(12dimethyl5nitro1Hindol3yl)but3en2one
(E)4(12DIMETHYL5NITRO1HINDOL3YL)BUT3EN2ONE
(E)4(12DIMETHYL5NITROINDOL3YL)BUT3EN2ONE
4(5NITRO12DIMETHYL1HINDOL3YL)3BUTEN2ONE
CC(=O)C=Cc1c(C)n(c2c1cc(cc2)(N+)(=O)(O))C
CC1=C(C2=C(N1C)C=CC(=C2)(N+)(=O)(O))C=CC(=O)C
InChI=1SC14H14N2O3c19(17)461210(2)15(3)147511(16(18)19)813(12)14h48H13H3b64+
MFCD00595092
ZINC000000242494
ZINC00242494
ZINC242494
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