Vitas-M small molecule compound

3-(2-hydroxy-5-oxo-4,5-dihydro-3H-1,4-benzodiazepin-3-yl)-N-[3-(methylsulfanyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide

Catalog ID
STL540585
SMILES CSCCC(c1nnc2n1cccc2)NC(=O)CCC1NC(=O)c2c(N=C1O)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 C22H24N6O3S MW 452.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N6O3S/c1-32-13-11-16(20-27-26-18-8-4-5-12-28(18)20)23-19(29)10-9-17-22(31)24-15-7-3-2-6-14(15)21(30)25-17/h2-8,12,16-17H,9-11,13H2,1H3,(H,23,29)(H,24,31)(H,25,30)
InChIKey
MBRVZXKATXUSBT-UHFFFAOYSA-N
Synonyms

3(25dioxo34dihydro1~(H)14benzodiazepin3yl)~(N)(3methylsulfanyl1((124)triazolo(43a)pyridin3yl)propyl)propanamide
3(2hydroxy5oxo45dihydro3H14benzodiazepin3yl)N(3(methylsulfanyl)1((124)triazolo(43a)pyridin3yl)propyl)propanamide
75357074
InChI=1SC22H24N6O3Sc132131116(202726188451228(18)20)2319(29)1091722(31)2415732614(15)21(30)2517h28121617H91113H21H3(H2329)(H2431)(H2530)
MFCD31755122
ZINC000096222433
ZINC000206253274

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Available files

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