Vitas-M small molecule compound
3-[(2-chloro-4-fluorobenzyl)sulfanyl]-5-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4-(propan-2-yl)-4H-1,2,4-triazole
Catalog ID
STK465185
SMILES CC1CCc2c(C1)scc2c1nnc(n1C(C)C)SCc1ccc(cc1Cl)F
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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 C21H23ClFN3S2 MW 436.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23ClFN3S2/c1-12(2)26-20(17-11-27-19-8-13(3)4-7-16(17)19)24-25-21(26)28-10-14-5-6-15(23)9-18(14)22/h5-6,9,11-13H,4,7-8,10H2,1-3H3InChIKey
XDLUZACPQSPXGD-UHFFFAOYSA-NSynonyms
3((2chloro4fluorobenzyl)sulfanyl)5(6methyl4567tetrahydro1benzothiophen3yl)4(propan2yl)4H124triazole
3((2chloro4fluorophenyl)methylsulfanyl)5(6methyl4567tetrahydro1benzothiophen3yl)4propan2yl124triazole
CC1CCC2=C(C1)SC=C2C3=NN=C(N3C(C)C)SCC4=C(C=C(C=C4)F)Cl
InChI=1SC21H23ClFN3S2c112(2)2620(17112719813(3)4716(17)19)242521(26)2810145615(23)918(14)22h5691113H47810H213H3
MFCD05140960
ZINC000017099905
ZINC000017099906
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