Vitas-M small molecule compound
6-tert-butyl-2-{[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl}-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Catalog ID
STK538904
SMILES COc1cccc(c1)C(=O)CSc1nc2CCC(Cc2c(c1C#N)c1cccs1)C(C)(C)C
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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 C27H28N2O2S2 MW 476.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O2S2/c1-27(2,3)18-10-11-22-20(14-18)25(24-9-6-12-32-24)21(15-28)26(29-22)33-16-23(30)17-7-5-8-19(13-17)31-4/h5-9,12-13,18H,10-11,14,16H2,1-4H3InChIKey
NBOLPTPMLCASOK-UHFFFAOYSA-NSynonyms
354556-52-8354556528
6(tertbutyl)2((2(3methoxyphenyl)2oxoethyl)thio)4(thiophen2yl)5678tetrahydroquinoline3carbonitrile
6tertbutyl2((2(3methoxyphenyl)2oxoethyl)sulfanyl)4(thiophen2yl)5678tetrahydroquinoline3carbonitrile
6tertbutyl2(2(3methoxyphenyl)2oxoethyl)sulfanyl4thiophen2yl5678tetrahydroquinoline3carbonitrile
CC(C)(C)C1CCC2=C(C1)C(=C(C(=N2)SCC(=O)C3=CC(=CC=C3)OC)C#N)C4=CC=CS4
InChI=1SC27H28N2O2S2c127(23)1810112220(1418)25(2496123224)21(1528)26(2922)331623(30)1775819(1317)314h59121318H10111416H214H3
MFCD02326078
ZINC000008451192
ZINC000008451193
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