Vitas-M small molecule compound
3-[(2-chloro-6-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
STK465181
SMILES CC1CCc2c(C1)scc2c1nnc(n1C(C)C)SCc1c(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 C21H23ClFN3S2 MW 436.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23ClFN3S2/c1-12(2)26-20(15-10-27-19-9-13(3)7-8-14(15)19)24-25-21(26)28-11-16-17(22)5-4-6-18(16)23/h4-6,10,12-13H,7-9,11H2,1-3H3InChIKey
VOVZIEBTJCOLNE-UHFFFAOYSA-NSynonyms
3((2chloro6fluorobenzyl)sulfanyl)5(6methyl4567tetrahydro1benzothiophen3yl)4(propan2yl)4H124triazole
3((2chloro6fluorophenyl)methylsulfanyl)5(6methyl4567tetrahydro1benzothiophen3yl)4propan2yl124triazole
CC1CCC2=C(C1)SC=C2C3=NN=C(N3C(C)C)SCC4=C(C=CC=C4Cl)F
InChI=1SC21H23ClFN3S2c112(2)2620(15102719913(3)7814(15)19)242521(26)28111617(22)54618(16)23h46101213H7911H213H3
MFCD05141428
ZINC000017099908
ZINC000017099909
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