Vitas-M small molecule compound
[(5-{2-[(2,4-dimethylphenyl)amino]-2-oxoethyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetic acid
Catalog ID
STL182678
SMILES CCn1c(nnc1SCC(=O)O)CC(=O)Nc1ccc(cc1C)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 C16H20N4O3S MW 348.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H20N4O3S/c1-4-20-13(18-19-16(20)24-9-15(22)23)8-14(21)17-12-6-5-10(2)7-11(12)3/h5-7H,4,8-9H2,1-3H3,(H,17,21)(H,22,23)InChIKey
AQXUEDVUOBOWRX-UHFFFAOYSA-NSynonyms
((5(2((24dimethylphenyl)amino)2oxoethyl)4ethyl4H124triazol3yl)sulfanyl)aceticacid
2((5(2(24dimethylanilino)2oxoethyl)4ethyl124triazol3yl)sulfanyl)aceticacid
CCN1C(=NN=C1SCC(=O)O)CC(=O)NC2=C(C=C(C=C2)C)C
InChI=1SC16H20N4O3Sc142013(181916(20)24915(22)23)814(21)17126510(2)711(12)3h57H489H213H3(H1721)(H2223)
MFCD22385654
ZINC000072328146
ZINC72328146
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