Vitas-M small molecule compound

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

Catalog ID
STL340736
SMILES C=CCn1c(SCc2ccc(cc2Cl)Cl)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 C16H13Cl2N5S MW 378.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13Cl2N5S/c1-2-7-23-15(14-9-19-5-6-20-14)21-22-16(23)24-10-11-3-4-12(17)8-13(11)18/h2-6,8-9H,1,7,10H2
InChIKey
DGSMWGJATFOXQM-UHFFFAOYSA-N
Synonyms
577987-93-0
2(4allyl5((24dichlorobenzyl)thio)4H124triazol3yl)pyrazine
2(5(((24DICHLOROPHENYL)METHYL)SULFANYL)4(PROP2EN1YL)4H124TRIAZOL3YL)PYRAZINE
2(5((24dichlorobenzyl)sulfanyl)4(prop2en1yl)4H124triazol3yl)pyrazine
2(5((24DICHLOROPHENYL)METHYLSULFANYL)4PROP2ENYL124TRIAZOL3YL)PYRAZINE
3((24DICHLOROPHENYL)METHYLTHIO)4PROP2ENYL5PYRAZIN2YL124TRIAZOLE
577987930
C=CCN1C(=NN=C1SCC2=C(C=C(C=C2)Cl)Cl)C3=NC=CN=C3
InChI=1SC16H13Cl2N5Sc1272315(14919562014)212216(23)2410113412(17)813(11)18h2689H1710H2
MFCD04021922
ZINC000002337267
ZINC02337267
ZINC2337267

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Available files

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