Vitas-M small molecule compound
2-(benzylsulfanyl)-4-(3,4-dimethoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK025245
SMILES N#CC1=C(SCc2ccccc2)NC2=C(C1c1ccc(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 C27H28N2O3S MW 460.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O3S/c1-27(2)13-20-25(21(30)14-27)24(18-10-11-22(31-3)23(12-18)32-4)19(15-28)26(29-20)33-16-17-8-6-5-7-9-17/h5-12,24,29H,13-14,16H2,1-4H3InChIKey
CMXIWMFMWJKQRI-UHFFFAOYSA-NSynonyms
498536-70-22(benzylsulfanyl)4(34dimethoxyphenyl)77dimethyl5oxo145678hexahydroquinoline3carbonitrile
2(benzylthio)4(34dimethoxyphenyl)77dimethyl5oxo145678hexahydroquinoline3carbonitrile
2benzylsulfanyl4(34dimethoxyphenyl)77dimethyl5oxo1468tetrahydroquinoline3carbonitrile
498536702
CC1(CC2=C(C(C(=C(N2)SCC3=CC=CC=C3)C#N)C4=CC(=C(C=C4)OC)OC)C(=O)C1)C
InChI=1SC27H28N2O3Sc127(2)132025(21(30)1427)24(18101122(313)23(1218)324)19(1528)26(2920)3316178657917h5122429H131416H214H3
MFCD03301728
N#CC1=C(SCc2ccccc2)NC2=C(C1c1ccc(c(c1)OC)OC)C(=O)CC(C2)(C)C
STK025245
ZINC000009113345
ZINC000009113347
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