Vitas-M small molecule compound

ethyl (2E)-cyano(1-phenyl-1,4-dihydro-5H-tetrazol-5-ylidene)ethanoate

Catalog ID
STK772112
SMILES CCOC(=O)/C(=c/1\[nH]nnn1c1ccccc1)/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 C12H11N5O2 MW 257.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H11N5O2/c1-2-19-12(18)10(8-13)11-14-15-16-17(11)9-6-4-3-5-7-9/h3-7H,2H2,1H3,(H,14,16)/b11-10+
InChIKey
ZPOFKHDIYTVDRD-ZHACJKMWSA-N
Synonyms

ACETICACIDCYANO(1PHENYL14DIHYDROTETRAZOL5YLIDENE)ETHYLESTER
CCOC(=O)C(=c1(nH)nnn1c1ccccc1)C#N
CCOC(=O)C(=C1N=NNN1C2=CC=CC=C2)C#N
ethyl(2E)cyano(1phenyl14dihydro5Htetrazol5ylidene)ethanoate
ETHYL(2Z)2CYANO2(1PHENYL2HTETRAZOL5YLIDENE)ACETATE
InChI=1SC12H11N5O2c121912(18)10(813)1114151617(11)9643579h37H2H21H3(H1416)b1110+
MFCD01418127
ZINC000000133962
ZINC00133962
ZINC133962

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Available files

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