Vitas-M small molecule compound
3,3-dimethyl-1-{[5-(3-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}butan-2-one
Catalog ID
STL050557
SMILES C=CCn1c(SCC(=O)C(C)(C)C)nnc1c1cccc(c1)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 C18H23N3OS MW 329.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H23N3OS/c1-6-10-21-16(14-9-7-8-13(2)11-14)19-20-17(21)23-12-15(22)18(3,4)5/h6-9,11H,1,10,12H2,2-5H3InChIKey
JOURZSSIOVKVPF-UHFFFAOYSA-NSynonyms
862115-77-31((4allyl5(mtolyl)4H124triazol3yl)thio)33dimethylbutan2one
33dimethyl1((5(3methylphenyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)butan2one
33DIMETHYL1((5(3METHYLPHENYL)4PROP2EN1YL4H124TRIAZOL3YL)SULFANYL)BUTAN2ONE
33DIMETHYL1((5(3METHYLPHENYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)BUTAN2ONE
33DIMETHYL1(5(3METHYLPHENYL)4PROP2ENYL(124TRIAZOL3YLTHIO))BUTAN2ONE
862115773
CC1=CC=CC(=C1)C2=NN=C(N2CC=C)SCC(=O)C(C)(C)C
InChI=1SC18H23N3OSc16102116(1497813(2)1114)192017(21)231215(22)18(34)5h6911H11012H225H3
MFCD05686982
ZINC000005500334
ZINC05500334
ZINC5500334
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