Vitas-M small molecule compound
ethyl 2-({[(2-phenylquinolin-4-yl)carbonyl]carbamothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK317759
SMILES CCOC(=O)c1c(NC(=S)NC(=O)c2cc(nc3c2cccc3)c2ccccc2)sc2c1CCCCC2
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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 C29H27N3O3S2 MW 529.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N3O3S2/c1-2-35-28(34)25-20-14-7-4-8-16-24(20)37-27(25)32-29(36)31-26(33)21-17-23(18-11-5-3-6-12-18)30-22-15-10-9-13-19(21)22/h3,5-6,9-13,15,17H,2,4,7-8,14,16H2,1H3,(H2,31,32,33,36)InChIKey
ITDWAYZIYTXKPA-UHFFFAOYSA-NSynonyms
445237-73-0445237730
CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5
ethyl2((((2phenylquinolin4yl)carbonyl)carbamothioyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ethyl2((2phenylquinoline4carbonyl)carbamothioylamino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
InChI=1SC29H27N3O3S2c123528(34)2520147481624(20)3727(25)3229(36)3126(33)211723(18115361218)3022151091319(21)22h3569131517H24781416H21H3(H231323336)
MFCD02609169
ZINC000002108659
ZINC02108659
ZINC2108659
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