Vitas-M small molecule compound

ethyl (2E)-2-cyano-3-[1-(4-nitrobenzyl)-1H-indol-3-yl]prop-2-enoate

Catalog ID
STK392744
SMILES CCOC(=O)/C(=C/c1cn(c2c1cccc2)Cc1ccc(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 C21H17N3O4 MW 375.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N3O4/c1-2-28-21(25)16(12-22)11-17-14-23(20-6-4-3-5-19(17)20)13-15-7-9-18(10-8-15)24(26)27/h3-11,14H,2,13H2,1H3/b16-11+
InChIKey
WXHHHHNEVRGICV-LFIBNONCSA-N
Synonyms

CCOC(=O)C(=CC1=CN(C2=CC=CC=C21)CC3=CC=C(C=C3)(N+)(=O)(O))C#N
CCOC(=O)C(=Cc1cn(c2c1cccc2)Cc1ccc(cc1)(N+)(=O)(O))C#N
ethyl(2E)2cyano3(1(4nitrobenzyl)1Hindol3yl)prop2enoate
ETHYL(E)2CYANO3(1((4NITROPHENYL)METHYL)INDOL3YL)PROP2ENOATE
InChI=1SC21H17N3O4c122821(25)16(1222)11171423(20643519(17)20)13157918(10815)24(26)27h31114H213H21H3b1611+
MFCD02602723
ZINC000004761742
ZINC04761742
ZINC4761742

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Available files

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