Vitas-M small molecule compound
methyl 4-({[3-cyano-5-oxo-4-(pyridin-3-yl)-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}methyl)benzoate
Catalog ID
STK826640
SMILES COC(=O)c1ccc(cc1)CSC1=C(C#N)C(C2=C(N1)CCCC2=O)c1cccnc1
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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 C24H21N3O3S MW 431.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N3O3S/c1-30-24(29)16-9-7-15(8-10-16)14-31-23-18(12-25)21(17-4-3-11-26-13-17)22-19(27-23)5-2-6-20(22)28/h3-4,7-11,13,21,27H,2,5-6,14H2,1H3InChIKey
IANVOXYMEKVDSG-UHFFFAOYSA-NSynonyms
731826-47-4731826474
COC(=O)C1=CC=C(C=C1)CSC2=C(C(C3=C(N2)CCCC3=O)C4=CN=CC=C4)C#N
InChI=1SC24H21N3O3Sc13024(29)169715(81016)14312318(1225)21(174311261317)2219(2723)52620(22)28h34711132127H25614H21H3
methyl4(((3cyano5oxo4(pyridin3yl)145678hexahydroquinolin2yl)sulfanyl)methyl)benzoate
methyl4((3cyano5oxo4pyridin3yl4678tetrahydro1Hquinolin2yl)sulfanylmethyl)benzoate
MFCD04631999
ZINC000025422068
ZINC000025422072
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