Vitas-M small molecule compound
3-({[(5-benzyl-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoic acid
Catalog ID
STL183106
SMILES CCn1c(SCC(=O)Nc2cccc(c2)C(=O)O)nnc1Cc1ccccc1
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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 C20H20N4O3S MW 396.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O3S/c1-2-24-17(11-14-7-4-3-5-8-14)22-23-20(24)28-13-18(25)21-16-10-6-9-15(12-16)19(26)27/h3-10,12H,2,11,13H2,1H3,(H,21,25)(H,26,27)InChIKey
OGRTVIBRWOTGHP-UHFFFAOYSA-NSynonyms
3((((5benzyl4ethyl4H124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
3((2((5benzyl4ethyl124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)O)CC3=CC=CC=C3
InChI=1SC20H20N4O3Sc122417(11147435814)222320(24)281318(25)2116106915(1216)19(26)27h31012H21113H21H3(H2125)(H2627)
MFCD22125484
ZINC000013364389
ZINC13364389
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