Vitas-M small molecule compound

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

Catalog ID
STL341361
SMILES C=CCn1c(SCc2ccc(cc2)Br)nnc1c1cnccn1

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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 C16H14BrN5S MW 388.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14BrN5S/c1-2-9-22-15(14-10-18-7-8-19-14)20-21-16(22)23-11-12-3-5-13(17)6-4-12/h2-8,10H,1,9,11H2
InChIKey
JHJVQVVJWKKVIL-UHFFFAOYSA-N
Synonyms
575462-04-3
2(4allyl5((4bromobenzyl)thio)4H124triazol3yl)pyrazine
2(5(((4BROMOPHENYL)METHYL)SULFANYL)4(PROP2EN1YL)4H124TRIAZOL3YL)PYRAZINE
2(5((4bromobenzyl)sulfanyl)4(prop2en1yl)4H124triazol3yl)pyrazine
2(5((4BROMOPHENYL)METHYLSULFANYL)4PROP2ENYL124TRIAZOL3YL)PYRAZINE
3((4BROMOPHENYL)METHYLTHIO)4PROP2ENYL5PYRAZIN2YL124TRIAZOLE
575462043
C=CCN1C(=NN=C1SCC2=CC=C(C=C2)Br)C3=NC=CN=C3
InChI=1SC16H14BrN5Sc1292215(141018781914)202116(22)2311123513(17)6412h2810H1911H2
MFCD04026765
ZINC000002376995
ZINC02376995
ZINC2376995

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Available files

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