Vitas-M small molecule compound
1-{[5-(2-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-3,3-dimethylbutan-2-one
Catalog ID
STK522270
SMILES COc1ccccc1c1nnc(n1C)SCC(=O)C(C)(C)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 C16H21N3O2S MW 319.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H21N3O2S/c1-16(2,3)13(20)10-22-15-18-17-14(19(15)4)11-8-6-7-9-12(11)21-5/h6-9H,10H2,1-5H3InChIKey
VQTWXRLGIROXGN-UHFFFAOYSA-NSynonyms
853337-90-31((5(2METHOXYPHENYL)4METHYL124TRIAZOL3YL)SULFANYL)33DIMETHYLBUTAN2ONE
1((5(2METHOXYPHENYL)4METHYL4H124TRIAZOL3YL)SULFANYL)33DIMETHYL2BUTANONE
1((5(2methoxyphenyl)4methyl4H124triazol3yl)sulfanyl)33dimethylbutan2one
853337903
CC(C)(C)C(=O)CSC1=NN=C(N1C)C2=CC=CC=C2OC
InChI=1SC16H21N3O2Sc116(23)13(20)102215181714(19(15)4)11867912(11)215h69H10H215H3
MFCD05532843
ZINC000005131056
ZINC05131056
ZINC5131056
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