Vitas-M small molecule compound
N-cyclopentyl-1-[({[4-(furan-2-yl)-2,6-dioxocyclohexylidene]methyl}amino)methyl]-3,4-dihydroisoquinoline-2(1H)-carbothioamide
Catalog ID
STK206728
SMILES S=C(N1CCc2c(C1CN/C=C/1\C(=O)CC(CC1=O)c1ccco1)cccc2)NC1CCCC1
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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 C27H31N3O3S MW 477.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31N3O3S/c31-24-14-19(26-10-5-13-33-26)15-25(32)22(24)16-28-17-23-21-9-4-1-6-18(21)11-12-30(23)27(34)29-20-7-2-3-8-20/h1,4-6,9-10,13,16,19-20,23,28H,2-3,7-8,11-12,14-15,17H2,(H,29,34)/b22-16-InChIKey
DCJYWPLJZNQKNK-JWGURIENSA-NSynonyms
MFCD03759988
Ncyclopentyl1((((4(furan2yl)26dioxocyclohexylidene)methyl)amino)methyl)34dihydroisoquinoline2(1H)carbothioamide
S=C(N1CCc2c(C1CNC=C1C(=O)CC(CC1=O)c1ccco1)cccc2)NC1CCCC1
ZINC000100144910
ZINC000100144913
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