Vitas-M small molecule compound

2-(4-chlorophenyl)-N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]quinoline-4-carboxamide

Catalog ID
STK301329
SMILES N#Cc1c(NC(=S)NC(=O)c2cc(nc3c2cccc3)c2ccc(cc2)Cl)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 C27H21ClN4OS2 MW 517.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21ClN4OS2/c28-17-12-10-16(11-13-17)23-14-20(18-6-4-5-8-22(18)30-23)25(33)31-27(34)32-26-21(15-29)19-7-2-1-3-9-24(19)35-26/h4-6,8,10-14H,1-3,7,9H2,(H2,31,32,33,34)
InChIKey
KOUKOJOTDBNNPZ-UHFFFAOYSA-N
Synonyms
438613-24-2
2(4chlorophenyl)N((3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)carbamothioyl)quinoline4carboxamide
438613242
C1CCC2=C(CC1)SC(=C2C#N)NC(=S)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)Cl
InChI=1SC27H21ClN4OS2c2817121016(111317)231420(18645822(18)3023)25(33)3127(34)322621(1529)197213924(19)3526h4681014H1379H2(H231323334)
MFCD02604697
ZINC000002726888
ZINC02726888
ZINC2726888

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Available files

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