Vitas-M small molecule compound

3-{5-[(3-bromobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}-N,N-dimethylaniline

Catalog ID
STK491731
SMILES C=CCn1c(nnc1c1cccc(c1)N(C)C)SCc1cccc(c1)Br

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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 C20H21BrN4S MW 429.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21BrN4S/c1-4-11-25-19(16-8-6-10-18(13-16)24(2)3)22-23-20(25)26-14-15-7-5-9-17(21)12-15/h4-10,12-13H,1,11,14H2,2-3H3
InChIKey
UCTDHQAJUOCCQA-UHFFFAOYSA-N
Synonyms

(3(5((3BROMOPHENYL)METHYLTHIO)4PROP2ENYL(124TRIAZOL3YL))PHENYL)DIMETHYLAMINE
3(5((3bromobenzyl)sulfanyl)4(prop2en1yl)4H124triazol3yl)NNdimethylaniline
3(5((3bromophenyl)methylsulfanyl)4prop2enyl124triazol3yl)NNdimethylaniline
CN(C)C1=CC=CC(=C1)C2=NN=C(N2CC=C)SCC3=CC(=CC=C3)Br
InChI=1SC20H21BrN4Sc14112519(16861018(1316)24(2)3)222320(25)26141575917(21)1215h4101213H11114H223H3
MFCD06184269
ZINC000014115893
ZINC14115893

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Available files

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