Vitas-M small molecule compound

methyl 4-[({trans-4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexyl}carbonyl)amino]benzoate

Catalog ID
STK717225
SMILES COC(=O)c1ccc(cc1)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 C23H24N4O4 MW 420.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24N4O4/c1-31-23(30)17-10-12-18(13-11-17)24-21(28)16-8-6-15(7-9-16)14-27-22(29)19-4-2-3-5-20(19)25-26-27/h2-5,10-13,15-16H,6-9,14H2,1H3,(H,24,28)/t15-,16-
InChIKey
MTAIXENQSLOYBW-WKILWMFISA-N
Synonyms

COC(=O)c1ccc(cc1)NC(=O)(C@@H)1CC(C@H)(CC1)Cn1nnc2c(c1=O)cccc2
COC(=O)c1ccc(cc1)NC(=O)C1CCC(CC1)Cn1nnc2c(c1=O)cccc2
methyl4(((trans4((4oxo123benzotriazin3(4H)yl)methyl)cyclohexyl)carbonyl)amino)benzoate
methyl4(4((4oxobenzo(d)(123)triazin3(4H)yl)methyl)cyclohexanecarboxamido)benzoate
MFCD10040942
ZINC000238901803

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Available files

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