Vitas-M small molecule compound
2-[4-(1,3-benzodioxol-5-yl)-7,7-dimethyl-2,5-dioxo-3,4,5,6,7,8-hexahydroquinolin-1(2H)-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Catalog ID
STK779467
SMILES N#Cc1c(sc2c1CCCC2)N1C(=O)CC(C2=C1CC(C)(C)CC2=O)c1ccc2c(c1)OCO2
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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 C27H26N2O4S MW 474.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O4S/c1-27(2)11-19-25(20(30)12-27)17(15-7-8-21-22(9-15)33-14-32-21)10-24(31)29(19)26-18(13-28)16-5-3-4-6-23(16)34-26/h7-9,17H,3-6,10-12,14H2,1-2H3InChIKey
KPFYAPINULIZCS-UHFFFAOYSA-NSynonyms
2(4(13benzodioxol5yl)77dimethyl25dioxo345678hexahydroquinolin1(2H)yl)4567tetrahydro1benzothiophene3carbonitrile
2(4(13benzodioxol5yl)77dimethyl25dioxo3468tetrahydroquinolin1yl)4567tetrahydro1benzothiophene3carbonitrile
CC1(CC2=C(C(CC(=O)N2C3=C(C4=C(S3)CCCC4)C#N)C5=CC6=C(C=C5)OCO6)C(=O)C1)C
InChI=1SC27H26N2O4Sc127(2)111925(20(30)1227)17(15782122(915)33143221)1024(31)29(19)2618(1328)16534623(16)3426h7917H36101214H212H3
MFCD05858585
ZINC000001429675
ZINC000001429676
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