Vitas-M small molecule compound
1-{[5-(2-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3,3-dimethylbutan-2-one
Catalog ID
STL040476
SMILES C=CCn1c(SCC(=O)C(C)(C)C)nnc1c1ccccc1Cl
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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 C17H20ClN3OS MW 349.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20ClN3OS/c1-5-10-21-15(12-8-6-7-9-13(12)18)19-20-16(21)23-11-14(22)17(2,3)4/h5-9H,1,10-11H2,2-4H3InChIKey
CSYKPTNDTZXMHU-UHFFFAOYSA-NSynonyms
848922-34-91((4allyl5(2chlorophenyl)4H124triazol3yl)thio)33dimethylbutan2one
1((5(2chlorophenyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)33dimethylbutan2one
1((5(2CHLOROPHENYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)33DIMETHYLBUTAN2ONE
848922349
CC(C)(C)C(=O)CSC1=NN=C(N1CC=C)C2=CC=CC=C2Cl
InChI=1SC17H20ClN3OSc15102115(12867913(12)18)192016(21)231114(22)17(23)4h59H11011H224H3
MFCD05677564
ZINC000002442921
ZINC02442921
ZINC2442921
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