Vitas-M small molecule compound

1-({5-[(4-bromophenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-3,3-dimethylbutan-2-one

Catalog ID
STK379007
SMILES C=CCn1c(COc2ccc(cc2)Br)nnc1SCC(=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 C18H22BrN3O2S MW 424.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22BrN3O2S/c1-5-10-22-16(11-24-14-8-6-13(19)7-9-14)20-21-17(22)25-12-15(23)18(2,3)4/h5-9H,1,10-12H2,2-4H3
InChIKey
ONJDOKQPWDVVFF-UHFFFAOYSA-N
Synonyms
302950-83-0
1((4ALLYL5((4BROMOPHENOXY)METHYL)4H124TRIAZOL3YL)THIO)33DIMETHYLBUTAN2ONE
1((5((4bromophenoxy)methyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)33dimethylbutan2one
1((5((4BROMOPHENOXY)METHYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)33DIMETHYLBUTAN2ONE
1(5((4BROMOPHENOXY)METHYL)4PROP2ENYL(124TRIAZOL3YLTHIO))33DIMETHYLBUTAN2ONE
302950830
CC(C)(C)C(=O)CSC1=NN=C(N1CC=C)COC2=CC=C(C=C2)Br
InChI=1SC18H22BrN3O2Sc15102216(1124148613(19)7914)202117(22)251215(23)18(23)4h59H11012H224H3
MFCD01874486
ZINC000000634840
ZINC00634840
ZINC634840

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Available files

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