Vitas-M small molecule compound
3-[({[5-benzyl-4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid
Catalog ID
STL182144
SMILES CC(Cn1c(SCC(=O)Nc2cccc(c2)C(=O)O)nnc1Cc1ccccc1)C
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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 C22H24N4O3S MW 424.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N4O3S/c1-15(2)13-26-19(11-16-7-4-3-5-8-16)24-25-22(26)30-14-20(27)23-18-10-6-9-17(12-18)21(28)29/h3-10,12,15H,11,13-14H2,1-2H3,(H,23,27)(H,28,29)InChIKey
YLUGUHSVHYPMGZ-UHFFFAOYSA-NSynonyms
3((((5benzyl4(2methylpropyl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
3((2((5benzyl4(2methylpropyl)124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
CC(C)CN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)O)CC3=CC=CC=C3
InChI=1SC22H24N4O3Sc115(2)132619(11167435816)242522(26)301420(27)2318106917(1218)21(28)29h3101215H111314H212H3(H2327)(H2829)
MFCD22125397
ZINC000072191468
ZINC72191468
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