Vitas-M small molecule compound

5-(2-chloro-6-fluorobenzyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol

Catalog ID
STK444058
SMILES C=CCn1c(nnc1S)Cc1c(F)cccc1Cl

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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 C12H11ClFN3S MW 283.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H11ClFN3S/c1-2-6-17-11(15-16-12(17)18)7-8-9(13)4-3-5-10(8)14/h2-5H,1,6-7H2,(H,16,18)
InChIKey
XJVCIQHQITYFRC-UHFFFAOYSA-N
Synonyms

3((2chloro6fluorophenyl)methyl)4prop2enyl1H124triazole5thione
5((6CHLORO2FLUOROPHENYL)METHYL)4PROP2ENYL124TRIAZOLE3THIOL
5(2chloro6fluorobenzyl)4(prop2en1yl)4H124triazole3thiol
C=CCN1C(=NNC1=S)CC2=C(C=CC=C2Cl)F
InChI=1SC12H11ClFN3Sc1261711(151612(17)18)789(13)43510(8)14h25H167H2(H1618)
MFCD04055253
ZINC000006317550
ZINC06317550
ZINC6317550

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Available files

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