Vitas-M small molecule compound

2-amino-4-{4-[(1,3-benzothiazol-2-ylsulfanyl)methyl]thiophen-2-yl}-1-(3-chlorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

Catalog ID
STK687608
SMILES N#CC1=C(N)N(C2=C(C1c1scc(c1)CSc1nc3c(s1)cccc3)C(=O)CCC2)c1cccc(c1)Cl

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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 C28H21ClN4OS3 MW 561.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21ClN4OS3/c29-17-5-3-6-18(12-17)33-21-8-4-9-22(34)26(21)25(19(13-30)27(33)31)24-11-16(14-35-24)15-36-28-32-20-7-1-2-10-23(20)37-28/h1-3,5-7,10-12,14,25H,4,8-9,15,31H2
InChIKey
MADBOGPUPGGYLI-UHFFFAOYSA-N
Synonyms

2amino4(4((13benzothiazol2ylsulfanyl)methyl)thiophen2yl)1(3chlorophenyl)5oxo145678hexahydroquinoline3carbonitrile
2amino4(4(13benzothiazol2ylsulfanylmethyl)thiophen2yl)1(3chlorophenyl)5oxo4678tetrahydroquinoline3carbonitrile
C1CC2=C(C(C(=C(N2C3=CC(=CC=C3)Cl)N)C#N)C4=CC(=CS4)CSC5=NC6=CC=CC=C6S5)C(=O)C1
InChI=1SC28H21ClN4OS3c291753618(1217)332184922(34)26(21)25(19(1330)27(33)31)241116(143524)15362832207121023(20)3728h135710121425H4891531H2
MFCD06619323
ZINC000098008406
ZINC000098008407

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Available files

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