Vitas-M small molecule compound

ethyl 2-[({[2-(4-chlorophenyl)quinolin-4-yl]carbonyl}carbamothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STK317727
SMILES CCOC(=O)c1c(NC(=S)NC(=O)c2cc(nc3c2cccc3)c2ccc(cc2)Cl)sc2c1CCCC2

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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 C28H24ClN3O3S2 MW 550.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24ClN3O3S2/c1-2-35-27(34)24-19-8-4-6-10-23(19)37-26(24)32-28(36)31-25(33)20-15-22(16-11-13-17(29)14-12-16)30-21-9-5-3-7-18(20)21/h3,5,7,9,11-15H,2,4,6,8,10H2,1H3,(H2,31,32,33,36)
InChIKey
HGVXBOISTLPTHT-UHFFFAOYSA-N
Synonyms
445237-51-4
445237514
CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)Cl
ethyl2((((2(4chlorophenyl)quinolin4yl)carbonyl)carbamothioyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2((2(4chlorophenyl)quinoline4carbonyl)carbamothioylamino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC28H24ClN3O3S2c123527(34)24198461023(19)3726(24)3228(36)3125(33)201522(16111317(29)141216)3021953718(20)21h35791115H246810H21H3(H231323336)
MFCD02608968
ZINC000002108618
ZINC02108618
ZINC2108618

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Available files

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