Vitas-M small molecule compound
3-({[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoic acid
Catalog ID
STL182124
SMILES O=C(Nc1cccc(c1)C(=O)O)CSc1nnc(n1c1ccccc1)Cc1ccccc1
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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 C24H20N4O3S MW 444.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20N4O3S/c29-22(25-19-11-7-10-18(15-19)23(30)31)16-32-24-27-26-21(14-17-8-3-1-4-9-17)28(24)20-12-5-2-6-13-20/h1-13,15H,14,16H2,(H,25,29)(H,30,31)InChIKey
IEMMDAMQMJQSKO-UHFFFAOYSA-NSynonyms
3((((5benzyl4phenyl4H124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
3((2((5benzyl4phenyl124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
C1=CC=C(C=C1)CC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=CC(=C4)C(=O)O
InChI=1SC24H20N4O3Sc2922(25191171018(1519)23(30)31)163224272621(14178314917)28(24)20125261320h11315H1416H2(H2529)(H3031)
MFCD22125448
ZINC000013409066
ZINC13409066
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