Vitas-M small molecule compound
2-(2-hydroxy-5-oxo-4,5-dihydro-3H-1,4-benzodiazepin-3-yl)-N-{4-[3-(methoxymethyl)-1H-1,2,4-triazol-5-yl]phenyl}acetamide
Catalog ID
STL544284
SMILES COCc1n[nH]c(n1)c1ccc(cc1)NC(=O)CC1NC(=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 C21H20N6O4 MW 420.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N6O4/c1-31-11-17-25-19(27-26-17)12-6-8-13(9-7-12)22-18(28)10-16-21(30)23-15-5-3-2-4-14(15)20(29)24-16/h2-9,16H,10-11H2,1H3,(H,22,28)(H,23,30)(H,24,29)(H,25,26,27)InChIKey
DSMUSDZWVXVVGF-UHFFFAOYSA-NSynonyms
122169440
2(25dioxo34dihydro1~(H)14benzodiazepin3yl)~(N)(4(5(methoxymethyl)1~(H)124triazol3yl)phenyl)acetamide
2(2hydroxy5oxo45dihydro3H14benzodiazepin3yl)N(4(3(methoxymethyl)1H124triazol5yl)phenyl)acetamide
InChI=1SC21H20N6O4c13111172519(272617)126813(9712)2218(28)101621(30)2315532414(15)20(29)2416h2916H1011H21H3(H2228)(H2330)(H2429)(H252627)
MFCD31756019
ZINC000253400224
ZINC000409413202
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