Vitas-M small molecule compound

(2E)-2-[(3-ethylbenzyl)imino]-N-(4-methoxyphenyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[1,5-a]azepine-3-carboxamide

Catalog ID
STL274201
SMILES COc1ccc(cc1)NC(=O)n1/c(=N/Cc2cccc(c2)CC)/nc2n1CCCCC2

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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 C24H29N5O2 MW 419.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H29N5O2/c1-3-18-8-7-9-19(16-18)17-25-23-27-22-10-5-4-6-15-28(22)29(23)24(30)26-20-11-13-21(31-2)14-12-20/h7-9,11-14,16H,3-6,10,15,17H2,1-2H3,(H,26,30)/b25-23+
InChIKey
XAMBEDGAMROBFF-WJTDDFOZSA-N
Synonyms

(2E)2((3ethylbenzyl)imino)N(4methoxyphenyl)256789hexahydro3H(124)triazolo(15a)azepine3carboxamide
COc1ccc(cc1)NC(=O)n1c(=NCc2cccc(c2)CC)nc2n1CCCCC2
MFCD07423299
ZINC000016778139

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Available files

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