Vitas-M small molecule compound
ethyl 4-[({[4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK826884
SMILES CCOC(=O)c1ccc(cc1)NC(=O)CSC1=C(C#N)C(C2=C(N1)CC(C)(C)CC2=O)c1ccc(cc1)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 C29H28ClN3O4S MW 550.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28ClN3O4S/c1-4-37-28(36)18-7-11-20(12-8-18)32-24(35)16-38-27-21(15-31)25(17-5-9-19(30)10-6-17)26-22(33-27)13-29(2,3)14-23(26)34/h5-12,25,33H,4,13-14,16H2,1-3H3,(H,32,35)InChIKey
RZLTVHHXODIKSP-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=C(C(C3=C(N2)CC(CC3=O)(C)C)C4=CC=C(C=C4)Cl)C#N
ethyl4((((4(4chlorophenyl)3cyano77dimethyl5oxo145678hexahydroquinolin2yl)sulfanyl)acetyl)amino)benzoate
ethyl4((2((4(4chlorophenyl)3cyano77dimethyl5oxo1468tetrahydroquinolin2yl)sulfanyl)acetyl)amino)benzoate
InChI=1SC29H28ClN3O4Sc143728(36)1871120(12818)3224(35)16382721(1531)25(175919(30)10617)2622(3327)1329(23)1423(26)34h5122533H4131416H213H3(H3235)
MFCD10086846
ZINC000102808993
ZINC000102808997
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