Vitas-M small molecule compound
2-{[3-cyano-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
Catalog ID
STK552627
SMILES COc1ccc(cc1)NC(=O)CSC1=C(C#N)C(C2=C(N1)CCCC2=O)c1ccc(c(c1)OC)O
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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 C26H25N3O5S MW 491.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O5S/c1-33-17-9-7-16(8-10-17)28-23(32)14-35-26-18(13-27)24(15-6-11-20(30)22(12-15)34-2)25-19(29-26)4-3-5-21(25)31/h6-12,24,29-30H,3-5,14H2,1-2H3,(H,28,32)InChIKey
HLHOUGNAFDFSJZ-UHFFFAOYSA-NSynonyms
799768-83-52((3cyano4(4hydroxy3methoxyphenyl)5oxo145678hexahydroquinolin2yl)sulfanyl)N(4methoxyphenyl)acetamide
2((3cyano4(4hydroxy3methoxyphenyl)5oxo145678hexahydroquinolin2yl)thio)N(4methoxyphenyl)acetamide
2((3cyano4(4hydroxy3methoxyphenyl)5oxo4678tetrahydro1Hquinolin2yl)sulfanyl)N(4methoxyphenyl)acetamide
799768835
COC1=CC=C(C=C1)NC(=O)CSC2=C(C(C3=C(N2)CCCC3=O)C4=CC(=C(C=C4)O)OC)C#N
InChI=1SC26H25N3O5Sc133179716(81017)2823(32)14352618(1327)24(1561120(30)22(1215)342)2519(2926)43521(25)31h612242930H3514H212H3(H2832)
MFCD03670902
ZINC000013189371
ZINC000013189374
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