Vitas-M small molecule compound
N-(2-chloro-6-fluorobenzyl)-2-{[4-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STK279388
SMILES O=C(CSc1nnc(n1C)c1ccc2c(c1)CCCC2)NCc1c(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 C22H22ClFN4OS MW 444.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClFN4OS/c1-28-21(16-10-9-14-5-2-3-6-15(14)11-16)26-27-22(28)30-13-20(29)25-12-17-18(23)7-4-8-19(17)24/h4,7-11H,2-3,5-6,12-13H2,1H3,(H,25,29)InChIKey
BHNJUYPGNINVRO-UHFFFAOYSA-NSynonyms
CN1C(=NN=C1SCC(=O)NCC2=C(C=CC=C2Cl)F)C3=CC4=C(CCCC4)C=C3
InChI=1SC22H22ClFN4OSc12821(1610914523615(14)1116)262722(28)301320(29)25121718(23)74819(17)24h4711H23561213H21H3(H2529)
MFCD09269826
N((2chloro6fluorophenyl)methyl)2((4methyl5(5678tetrahydronaphthalen2yl)124triazol3yl)sulfanyl)acetamide
N(2chloro6fluorobenzyl)2((4methyl5(5678tetrahydronaphthalen2yl)4H124triazol3yl)sulfanyl)acetamide
ZINC000009193292
ZINC09193292
ZINC9193292
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