Vitas-M small molecule compound
3-[(2-chloro-6-fluorobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazole
Catalog ID
STK465164
SMILES C=CCn1c(SCc2c(F)cccc2Cl)nnc1c1csc2c1CCCC2
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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 C20H19ClFN3S2 MW 419.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19ClFN3S2/c1-2-10-25-19(14-11-26-18-9-4-3-6-13(14)18)23-24-20(25)27-12-15-16(21)7-5-8-17(15)22/h2,5,7-8,11H,1,3-4,6,9-10,12H2InChIKey
XNGURWIUWOYISO-UHFFFAOYSA-NSynonyms
3((2chloro6fluorobenzyl)sulfanyl)4(prop2en1yl)5(4567tetrahydro1benzothiophen3yl)4H124triazole
3((2chloro6fluorophenyl)methylsulfanyl)4prop2enyl5(4567tetrahydro1benzothiophen3yl)124triazole
C=CCN1C(=NN=C1SCC2=C(C=CC=C2Cl)F)C3=CSC4=C3CCCC4
InChI=1SC20H19ClFN3S2c12102519(14112618943613(14)18)232420(25)27121516(21)75817(15)22h257811H134691012H2
MFCD06758340
ZINC000017092060
ZINC17092060
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