Vitas-M small molecule compound

5-{[(2-chloro-4-fluorobenzyl)sulfanyl]methyl}-4-(2-fluorophenyl)-4H-1,2,4-triazole-3-thiol

Catalog ID
STK445819
SMILES Fc1ccc(c(c1)Cl)CSCc1nnc(n1c1ccccc1F)S

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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 C16H12ClF2N3S2 MW 383.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12ClF2N3S2/c17-12-7-11(18)6-5-10(12)8-24-9-15-20-21-16(23)22(15)14-4-2-1-3-13(14)19/h1-7H,8-9H2,(H,21,23)
InChIKey
CMOYFSJNBIZOIP-UHFFFAOYSA-N
Synonyms

3((2chloro4fluorophenyl)methylsulfanylmethyl)4(2fluorophenyl)1H124triazole5thione
5(((2chloro4fluorobenzyl)sulfanyl)methyl)4(2fluorophenyl)4H124triazole3thiol
5(((2CHLORO4FLUOROPHENYL)METHYLTHIO)METHYL)4(2FLUOROPHENYL)124TRIAZOLE3THIOL
C1=CC=C(C(=C1)N2C(=NNC2=S)CSCC3=C(C=C(C=C3)F)Cl)F
InChI=1SC16H12ClF2N3S2c1712711(18)6510(12)824915202116(23)22(15)14421313(14)19h17H89H2(H2123)
MFCD04058260
ZINC000006402779
ZINC06402779
ZINC6402779

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Available files

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