Vitas-M small molecule compound

5-chloro-N,N-bis(cyanomethyl)-2-methoxybenzamide

Catalog ID
STK396036
SMILES COc1ccc(cc1C(=O)N(CC#N)CC#N)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 C12H10ClN3O2 MW 263.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H10ClN3O2/c1-18-11-3-2-9(13)8-10(11)12(17)16(6-4-14)7-5-15/h2-3,8H,6-7H2,1H3
InChIKey
KBDSXNUVJVNZBA-UHFFFAOYSA-N
Synonyms
335203-92-4
(5CHLORO2METHOXYPHENYL)NNBIS(CYANOMETHYL)CARBOXAMIDE
335203924
5chloroNNbis(cyanomethyl)2methoxybenzamide
5CHLORONNBISCYANOMETHYL2METHOXYBENZAMIDE
COC1=C(C=C(C=C1)Cl)C(=O)N(CC#N)CC#N
InChI=1SC12H10ClN3O2c11811329(13)810(11)12(17)16(6414)7515h238H67H21H3
MFCD02187684
ZINC000000373068
ZINC00373068
ZINC373068

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Available files

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