Vitas-M small molecule compound

ethyl [4-carbamoyl-1-(3-chlorobenzyl)-1H-1,2,3-triazol-5-yl]imidoformate

Catalog ID
STL133796
SMILES CCO/C=N/c1n(nnc1C(=O)N)Cc1cccc(c1)Cl

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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 C13H14ClN5O2 MW 307.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14ClN5O2/c1-2-21-8-16-13-11(12(15)20)17-18-19(13)7-9-4-3-5-10(14)6-9/h3-6,8H,2,7H2,1H3,(H2,15,20)/b16-8+
InChIKey
SJDFBISBNBOPRY-LZYBPNLTSA-N
Synonyms

CCOC=NC1=C(N=NN1CC2=CC(=CC=C2)Cl)C(=O)N
CCOC=Nc1n(nnc1C(=O)N)Cc1cccc(c1)Cl
ethyl(1E)N(5carbamoyl3((3chlorophenyl)methyl)triazol4yl)methanimidate
ethyl(4carbamoyl1(3chlorobenzyl)1H123triazol5yl)imidoformate
InChI=1SC13H14ClN5O2c12218161311(12(15)20)171819(13)7943510(14)69h368H27H21H3(H21520)b168+
MFCD20753857
ZINC000067341216

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Available files

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