Vitas-M small molecule compound
2-{[3-cyano-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide
Catalog ID
STK826509
SMILES N#CC1=C(SCC(=O)N)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 C23H27N3O5S MW 457.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27N3O5S/c1-23(2)8-14-20(15(27)9-23)19(13(10-24)22(26-14)32-11-18(25)28)12-6-16(29-3)21(31-5)17(7-12)30-4/h6-7,19,26H,8-9,11H2,1-5H3,(H2,25,28)InChIKey
ZRKOUJWFMTZSFN-UHFFFAOYSA-NSynonyms
578754-09-32((3cyano77dimethyl5oxo4(345trimethoxyphenyl)145678hexahydroquinolin2yl)sulfanyl)acetamide
2((3cyano77dimethyl5oxo4(345trimethoxyphenyl)145678hexahydroquinolin2yl)thio)acetamide
2((3cyano77dimethyl5oxo4(345trimethoxyphenyl)1468tetrahydroquinolin2yl)sulfanyl)acetamide
578754093
CC1(CC2=C(C(C(=C(N2)SCC(=O)N)C#N)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)C1)C
InChI=1SC23H27N3O5Sc123(2)81420(15(27)923)19(13(1024)22(2614)321118(25)28)12616(293)21(315)17(712)304h671926H8911H215H3(H22528)
MFCD04024769
ZINC000101071934
ZINC000101071936
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