Vitas-M small molecule compound
methyl 3-[(1E)-2-nitroprop-1-en-1-yl]-1H-indole-7-carboxylate
Catalog ID
STK833950
SMILES COC(=O)c1cccc2c1[nH]cc2/C=C(/[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 C13H12N2O4 MW 260.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12N2O4/c1-8(15(17)18)6-9-7-14-12-10(9)4-3-5-11(12)13(16)19-2/h3-7,14H,1-2H3/b8-6+InChIKey
PXQJHADRMLZQBB-SOFGYWHQSA-NSynonyms
300586-57-6(E)methyl3(2nitroprop1en1yl)1Hindole7carboxylate
3(2NITROPROPENYL)1HINDOLE7CARBOXYLICACIDMETHYLESTER
300586576
CC(=CC1=CNC2=C1C=CC=C2C(=O)OC)(N+)(=O)(O)
COC(=O)c1cccc2c1(nH)cc2C=C((N+)(=O)(O))C
InChI=1SC13H12N2O4c18(15(17)18)697141210(9)43511(12)13(16)192h3714H12H3b86+
methyl3((1E)2nitroprop1en1yl)1Hindole7carboxylate
METHYL3((E)2NITROPROP1ENYL)1HINDOLE7CARBOXYLATE
MFCD00550639
ZINC000004728843
ZINC04728843
ZINC4728843
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