Vitas-M small molecule compound
2,7,7-trimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-N-(pyridin-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
Catalog ID
STK960349
SMILES CSc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)(C)C)C(=O)Nc1ccccn1
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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 C25H27N3O2S MW 433.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O2S/c1-15-21(24(30)28-20-7-5-6-12-26-20)22(16-8-10-17(31-4)11-9-16)23-18(27-15)13-25(2,3)14-19(23)29/h5-12,22,27H,13-14H2,1-4H3,(H,26,28,30)InChIKey
KOCLNSLPPORYAS-UHFFFAOYSA-NSynonyms
496017-38-0277trimethyl4(4(methylsulfanyl)phenyl)5oxoN(pyridin2yl)145678hexahydroquinoline3carboxamide
277trimethyl4(4methylsulfanylphenyl)5oxoNpyridin2yl1468tetrahydroquinoline3carboxamide
496017380
CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)SC)C(=O)NC4=CC=CC=N4
InChI=1SC25H27N3O2Sc11521(24(30)2820756122620)22(1681017(314)11916)2318(2715)1325(23)1419(23)29h5122227H1314H214H3(H262830)
MFCD02607752
ZINC000008440519
ZINC000019840531
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