Vitas-M small molecule compound

trans-N-(2,4-dichlorophenyl)-4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexanecarboxamide

Catalog ID
STK717226
SMILES Clc1ccc(c(c1)Cl)NC(=O)[C@@H]1CC[C@H](CC1)Cn1nnc2c(c1=O)cccc2

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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 C21H20Cl2N4O2 MW 431.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20Cl2N4O2/c22-15-9-10-19(17(23)11-15)24-20(28)14-7-5-13(6-8-14)12-27-21(29)16-3-1-2-4-18(16)25-26-27/h1-4,9-11,13-14H,5-8,12H2,(H,24,28)/t13-,14-
InChIKey
AYFACTFMGWILBI-HDJSIYSDSA-N
Synonyms

Clc1ccc(c(c1)Cl)NC(=O)(C@@H)1CC(C@H)(CC1)Cn1nnc2c(c1=O)cccc2
Clc1ccc(c(c1)Cl)NC(=O)C1CCC(CC1)Cn1nnc2c(c1=O)cccc2
MFCD10040943
N(24dichlorophenyl)4((4oxobenzo(d)(123)triazin3(4H)yl)methyl)cyclohexanecarboxamide
transN(24dichlorophenyl)4((4oxo123benzotriazin3(4H)yl)methyl)cyclohexanecarboxamide
ZINC000238881683

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Available files

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