Vitas-M small molecule compound
3-{[({5-[(2,5-dimethylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoic acid
Catalog ID
STL182125
SMILES CCn1c(SCC(=O)Nc2cccc(c2)C(=O)O)nnc1COc1cc(C)ccc1C
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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 C22H24N4O4S MW 440.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N4O4S/c1-4-26-19(12-30-18-10-14(2)8-9-15(18)3)24-25-22(26)31-13-20(27)23-17-7-5-6-16(11-17)21(28)29/h5-11H,4,12-13H2,1-3H3,(H,23,27)(H,28,29)InChIKey
FAZYHGOWPHBZOI-UHFFFAOYSA-NSynonyms
3((((5((25dimethylphenoxy)methyl)4ethyl4H124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
3((2((5((25dimethylphenoxy)methyl)4ethyl124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)O)COC3=C(C=CC(=C3)C)C
InChI=1SC22H24N4O4Sc142619(1230181014(2)8915(18)3)242522(26)311320(27)231775616(1117)21(28)29h511H41213H213H3(H2327)(H2829)
MFCD22125474
ZINC000072191551
ZINC72191551
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