Vitas-M small molecule compound
1-{[5-(3-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-3,3-dimethylbutan-2-one
Catalog ID
STK591531
SMILES CCn1c(SCC(=O)C(C)(C)C)nnc1c1cccc(c1)Cl
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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 C16H20ClN3OS MW 337.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H20ClN3OS/c1-5-20-14(11-7-6-8-12(17)9-11)18-19-15(20)22-10-13(21)16(2,3)4/h6-9H,5,10H2,1-4H3InChIKey
XOQALFVNNAEKFG-UHFFFAOYSA-NSynonyms
848930-17-61((5(3CHLOROPHENYL)4ETHYL124TRIAZOL3YL)SULFANYL)33DIMETHYLBUTAN2ONE
1((5(3chlorophenyl)4ethyl4H124triazol3yl)sulfanyl)33dimethylbutan2one
1((5(3chlorophenyl)4ethyl4H124triazol3yl)thio)33dimethylbutan2one
848930176
CCN1C(=NN=C1SCC(=O)C(C)(C)C)C2=CC(=CC=C2)Cl
InChI=1SC16H20ClN3OSc152014(1176812(17)911)181915(20)221013(21)16(23)4h69H510H214H3
MFCD05678157
ZINC000002444626
ZINC02444626
ZINC2444626
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