Vitas-M small molecule compound

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

Catalog ID
STK687300
SMILES COc1ccc(cc1)N1C(=C(C#N)C(C2=C1CCCC2=O)c1scc(c1)CSc1nc2c(s1)cccc2)N

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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 C29H24N4O2S3 MW 556.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24N4O2S3/c1-35-19-11-9-18(10-12-19)33-22-6-4-7-23(34)27(22)26(20(14-30)28(33)31)25-13-17(15-36-25)16-37-29-32-21-5-2-3-8-24(21)38-29/h2-3,5,8-13,15,26H,4,6-7,16,31H2,1H3
InChIKey
CJKAZCHLQJRPDN-UHFFFAOYSA-N
Synonyms

2amino4(4((13benzothiazol2ylsulfanyl)methyl)thiophen2yl)1(4methoxyphenyl)5oxo145678hexahydroquinoline3carbonitrile
2amino4(4(13benzothiazol2ylsulfanylmethyl)thiophen2yl)1(4methoxyphenyl)5oxo4678tetrahydroquinoline3carbonitrile
COC1=CC=C(C=C1)N2C3=C(C(C(=C2N)C#N)C4=CC(=CS4)CSC5=NC6=CC=CC=C6S5)C(=O)CCC3
InChI=1SC29H24N4O2S3c1351911918(101219)332264723(34)27(22)26(20(1430)28(33)31)251317(153625)1637293221523824(21)3829h2358131526H4671631H21H3
MFCD06618240
ZINC000098008231
ZINC000098008232

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Available files

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