Vitas-M small molecule compound
2-[(2-chlorobenzyl)sulfanyl]-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK826504
SMILES N#CC1=C(SCc2ccccc2Cl)NC2=C(C1c1cc(OC)c(c(c1)OC)OC)C(=O)CC(C2)(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 C28H29ClN2O4S MW 525.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29ClN2O4S/c1-28(2)12-20-25(21(32)13-28)24(17-10-22(33-3)26(35-5)23(11-17)34-4)18(14-30)27(31-20)36-15-16-8-6-7-9-19(16)29/h6-11,24,31H,12-13,15H2,1-5H3InChIKey
XHRWXUFOFIPPIU-UHFFFAOYSA-NSynonyms
575460-28-52((2chlorobenzyl)sulfanyl)77dimethyl5oxo4(345trimethoxyphenyl)145678hexahydroquinoline3carbonitrile
2((2chlorobenzyl)thio)77dimethyl5oxo4(345trimethoxyphenyl)145678hexahydroquinoline3carbonitrile
2((2chlorophenyl)methylsulfanyl)77dimethyl5oxo4(345trimethoxyphenyl)1468tetrahydroquinoline3carbonitrile
575460285
CC1(CC2=C(C(C(=C(N2)SCC3=CC=CC=C3Cl)C#N)C4=CC(=C(C(=C4)OC)OC)OC)C(=O)C1)C
InChI=1SC28H29ClN2O4Sc128(2)122025(21(32)1328)24(171022(333)26(355)23(1117)344)18(1430)27(3120)361516867919(16)29h6112431H121315H215H3
MFCD04026594
ZINC000101075858
ZINC000101075860
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