Vitas-M small molecule compound

N-cyclopentyl-1-[({[4-(4-fluorophenyl)-2,6-dioxocyclohexylidene]methyl}amino)methyl]-3,4-dihydroisoquinoline-2(1H)-carbothioamide

Catalog ID
STK666903
SMILES Fc1ccc(cc1)C1CC(=O)/C(=C/NCC2N(CCc3c2cccc3)C(=S)NC2CCCC2)/C(=O)C1

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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 C29H32FN3O2S MW 505.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32FN3O2S/c30-22-11-9-19(10-12-22)21-15-27(34)25(28(35)16-21)17-31-18-26-24-8-4-1-5-20(24)13-14-33(26)29(36)32-23-6-2-3-7-23/h1,4-5,8-12,17,21,23,26,31H,2-3,6-7,13-16,18H2,(H,32,36)/b25-17-
InChIKey
ODVNZTUYZKZCMW-UQQQWYQISA-N
Synonyms

Fc1ccc(cc1)C1CC(=O)C(=CNCC2N(CCc3c2cccc3)C(=S)NC2CCCC2)C(=O)C1
MFCD03759985
Ncyclopentyl1((((4(4fluorophenyl)26dioxocyclohexylidene)methyl)amino)methyl)34dihydroisoquinoline2(1H)carbothioamide
ZINC000100138960
ZINC000100138964

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.