Vitas-M small molecule compound
3-({[(5-{2-[(2,5-dimethylphenyl)amino]-2-oxoethyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoic acid
Catalog ID
STL182153
SMILES CCn1c(SCC(=O)Nc2cccc(c2)C(=O)O)nnc1CC(=O)Nc1cc(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 C23H25N5O4S MW 467.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N5O4S/c1-4-28-19(12-20(29)25-18-10-14(2)8-9-15(18)3)26-27-23(28)33-13-21(30)24-17-7-5-6-16(11-17)22(31)32/h5-11H,4,12-13H2,1-3H3,(H,24,30)(H,25,29)(H,31,32)InChIKey
XCDAQIQACHTNGS-UHFFFAOYSA-NSynonyms
3((((5(2((25dimethylphenyl)amino)2oxoethyl)4ethyl4H124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
3((2((5(2(25dimethylanilino)2oxoethyl)4ethyl124triazol3yl)sulfanyl)acetyl)amino)benzoicacid
CCN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)O)CC(=O)NC3=C(C=CC(=C3)C)C
InChI=1SC23H25N5O4Sc142819(1220(29)25181014(2)8915(18)3)262723(28)331321(30)241775616(1117)22(31)32h511H41213H213H3(H2430)(H2529)(H3132)
MFCD22125405
ZINC000072191477
ZINC72191477
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