Vitas-M small molecule compound
5-[({5-[(4-chlorophenyl)carbonyl]furan-2-yl}methyl)sulfanyl]-4-cyclohexyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Catalog ID
STK736767
SMILES O=C(c1ccc(o1)CSc1n[nH]c(=O)n1C1CCCCC1)c1ccc(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 C20H20ClN3O3S MW 417.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20ClN3O3S/c21-14-8-6-13(7-9-14)18(25)17-11-10-16(27-17)12-28-20-23-22-19(26)24(20)15-4-2-1-3-5-15/h6-11,15H,1-5,12H2,(H,22,26)InChIKey
MSMBDWUOXUONBL-UHFFFAOYSA-NSynonyms
3((5((4CHLOROPHENYL)CARBONYL)(2FURYL))METHYLTHIO)4CYCLOHEXYL124TRIAZOLIN5ONE
3((5(4CHLOROBENZOYL)FURAN2YL)METHYLSULFANYL)4CYCLOHEXYL1H124TRIAZOL5ONE
5(((5((4chlorophenyl)carbonyl)furan2yl)methyl)sulfanyl)4cyclohexyl24dihydro3H124triazol3one
C1CCC(CC1)N2C(=O)NN=C2SCC3=CC=C(O3)C(=O)C4=CC=C(C=C4)Cl
InChI=1SC20H20ClN3O3Sc21148613(7914)18(25)17111016(2717)122820232219(26)24(20)154213515h61115H1512H2(H2226)
MFCD08142752
O=C(c1ccc(o1)CSc1n(nH)c(=O)n1C1CCCCC1)c1ccc(cc1)Cl
ZINC000006668535
ZINC06668535
ZINC6668535
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