Vitas-M small molecule compound

methyl (2Z)-3-(1-acetyl-1H-indol-3-yl)-2-nitroprop-2-enoate

Catalog ID
STK068448
SMILES COC(=O)/C(=C/c1cn(c2c1cccc2)C(=O)C)/[N+](=O)[O-]

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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 C14H12N2O5 MW 288.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H12N2O5/c1-9(17)15-8-10(11-5-3-4-6-12(11)15)7-13(16(19)20)14(18)21-2/h3-8H,1-2H3/b13-7-
InChIKey
VWZJEAFCNMYSKX-QPEQYQDCSA-N
Synonyms
42268-57-5
(Z)3(1ACETYL1HINDOL3YL)2NITROACRYLICACIDMETHYLESTER
(Z)3(1ACETYL3INDOLYL)2NITRO2PROPENOICACIDMETHYLESTER
(Z)3(1ACETYLINDOL3YL)2NITROACRYLICACIDMETHYLESTER
(Z)methyl3(1acetyl1Hindol3yl)2nitroacrylate
42268575
CC(=O)N1C=C(C2=CC=CC=C21)C=C(C(=O)OC)(N+)(=O)(O)
COC(=O)C(=Cc1cn(c2c1cccc2)C(=O)C)(N+)(=O)(O)
InChI=1SC14H12N2O5c19(17)15810(11534612(11)15)713(16(19)20)14(18)212h38H12H3b137
METHYL(2Z)3(1ACETYL1HINDOL3YL)2NITROPROP2ENOATE
METHYL(Z)3(1ACETYLINDOL3YL)2NITROPROP2ENOATE
METHYL(Z)3(1ETHANOYLINDOL3YL)2NITROPROP2ENOATE
MFCD00541130
STK068448
ZINC000002289115
ZINC02289115
ZINC2289115

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.