Vitas-M small molecule compound

5-(3-bromophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol

Catalog ID
STK663533
SMILES C=CCn1c(S)nnc1c1cccc(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 C11H10BrN3S MW 296.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H10BrN3S/c1-2-6-15-10(13-14-11(15)16)8-4-3-5-9(12)7-8/h2-5,7H,1,6H2,(H,14,16)
InChIKey
IXKYFOJFVVHCED-UHFFFAOYSA-N
Synonyms
341013-59-0
3(3BROMOPHENYL)4PROP2ENYL1H124TRIAZOLE5THIONE
341013590
4ALLYL5(3BROMOPHENYL)4H124TRIAZOL3THIOL
4ALLYL5(3BROMOPHENYL)4H124TRIAZOLE3THIOL
5(3bromophenyl)4(prop2en1yl)4H124triazole3thiol
5(3BROMOPHENYL)4PROP2ENYL124TRIAZOLE3THIOL
C=CCN1C(=NNC1=S)C2=CC(=CC=C2)Br
InChI=1SC11H10BrN3Sc1261510(131411(15)16)84359(12)78h257H16H2(H1416)
MFCD01427459
ZINC000012363685
ZINC12363685

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.