Vitas-M small molecule compound

N-{5-[2-(3,4-dimethoxyphenyl)ethyl]-1H-1,2,4-triazol-3-yl}-3-(2-hydroxy-5-oxo-4,5-dihydro-3H-1,4-benzodiazepin-3-yl)propanamide

Catalog ID
STL545269
SMILES COc1cc(CCc2[nH]nc(n2)NC(=O)CCC2NC(=O)c3c(N=C2O)cccc3)ccc1OC

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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 C24H26N6O5 MW 478.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N6O5/c1-34-18-10-7-14(13-19(18)35-2)8-11-20-27-24(30-29-20)28-21(31)12-9-17-23(33)25-16-6-4-3-5-15(16)22(32)26-17/h3-7,10,13,17H,8-9,11-12H2,1-2H3,(H,25,33)(H,26,32)(H2,27,28,29,30,31)
InChIKey
AKDCGQGLPMOAQR-UHFFFAOYSA-N
Synonyms

~(N)(5(2(34dimethoxyphenyl)ethyl)1~(H)124triazol3yl)3(25dioxo34dihydro1~(H)14benzodiazepin3yl)propanamide
110209606
MFCD31756207
N(5(2(34dimethoxyphenyl)ethyl)1H124triazol3yl)3(2hydroxy5oxo45dihydro3H14benzodiazepin3yl)propanamide
ZINC000217863616
ZINC000253534986

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Available files

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