Vitas-M small molecule compound
N-(3,5-dichlorophenyl)-2-({5-[(2,3-dimethylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Catalog ID
STL139261
SMILES C=CCn1c(SCC(=O)Nc2cc(Cl)cc(c2)Cl)nnc1COc1cccc(c1C)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 C22H22Cl2N4O2S MW 477.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22Cl2N4O2S/c1-4-8-28-20(12-30-19-7-5-6-14(2)15(19)3)26-27-22(28)31-13-21(29)25-18-10-16(23)9-17(24)11-18/h4-7,9-11H,1,8,12-13H2,2-3H3,(H,25,29)InChIKey
TYOAYGLNCSVLHX-UHFFFAOYSA-NSynonyms
CC1=C(C(=CC=C1)OCC2=NN=C(N2CC=C)SCC(=O)NC3=CC(=CC(=C3)Cl)Cl)C
InChI=1SC22H22Cl2N4O2Sc1482820(12301975614(2)15(19)3)262722(28)311321(29)25181016(23)917(24)1118h47911H181213H223H3(H2529)
MFCD05110860
N(35dichlorophenyl)2((5((23dimethylphenoxy)methyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)acetamide
N(35DICHLOROPHENYL)2((5((23DIMETHYLPHENOXY)METHYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)ACETAMIDE
ZINC000002859586
ZINC02859586
ZINC2859586
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