Vitas-M small molecule compound

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

Catalog ID
STK717250
SMILES O=C([C@@H]1CC[C@H](CC1)Cn1nnc2c(c1=O)cccc2)Nc1cccnc1

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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 C20H21N5O2 MW 363.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N5O2/c26-19(22-16-4-3-11-21-12-16)15-9-7-14(8-10-15)13-25-20(27)17-5-1-2-6-18(17)23-24-25/h1-6,11-12,14-15H,7-10,13H2,(H,22,26)/t14-,15-
InChIKey
CKOFAZITMRVAKU-SHTZXODSSA-N
Synonyms

4((4oxobenzo(d)(123)triazin3(4H)yl)methyl)N(pyridin3yl)cyclohexanecarboxamide
MFCD10040966
O=C((C@@H)1CC(C@H)(CC1)Cn1nnc2c(c1=O)cccc2)Nc1cccnc1
O=C(C1CCC(CC1)Cn1nnc2c(c1=O)cccc2)Nc1cccnc1
trans4((4oxo123benzotriazin3(4H)yl)methyl)N(pyridin3yl)cyclohexanecarboxamide
ZINC000238882120

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Available files

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