Vitas-M small molecule compound
3-[(4-chlorobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazole
Catalog ID
STK472303
SMILES C=CCn1c(nnc1c1csc2c1CCCC2)SCc1ccc(cc1)Cl
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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 C20H20ClN3S2 MW 401.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20ClN3S2/c1-2-11-24-19(17-13-25-18-6-4-3-5-16(17)18)22-23-20(24)26-12-14-7-9-15(21)10-8-14/h2,7-10,13H,1,3-6,11-12H2InChIKey
JYBUVMGNDQDZTE-UHFFFAOYSA-NSynonyms
3((4chlorobenzyl)sulfanyl)4(prop2en1yl)5(4567tetrahydro1benzothiophen3yl)4H124triazole
3((4chlorophenyl)methylsulfanyl)4prop2enyl5(4567tetrahydro1benzothiophen3yl)124triazole
C=CCN1C(=NN=C1SCC2=CC=C(C=C2)Cl)C3=CSC4=C3CCCC4
InChI=1SC20H20ClN3S2c12112419(17132518643516(17)18)222320(24)2612147915(21)10814h271013H1361112H2
MFCD06141296
ZINC000017082316
ZINC17082316
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