Vitas-M small molecule compound
4-(4-bromophenyl)-7,7-dimethyl-5-oxo-3-(prop-2-en-1-yl)-2-sulfanyl-3,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK559084
SMILES C=CCC1(C#N)C(=NC2=C(C1c1ccc(cc1)Br)C(=O)CC(C2)(C)C)S
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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 C21H21BrN2OS MW 429.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21BrN2OS/c1-4-9-21(12-23)18(13-5-7-14(22)8-6-13)17-15(24-19(21)26)10-20(2,3)11-16(17)25/h4-8,18H,1,9-11H2,2-3H3,(H,24,26)InChIKey
GTMJEAVXRNJUAA-UHFFFAOYSA-NSynonyms
132351-36-1132351361
4(4bromophenyl)77dimethyl5oxo3(prop2en1yl)2sulfanyl345678hexahydroquinoline3carbonitrile
4(4bromophenyl)77dimethyl5oxo3prop2enyl2sulfanylidene1468tetrahydroquinoline3carbonitrile
CC1(CC2=C(C(C(C(=S)N2)(CC=C)C#N)C3=CC=C(C=C3)Br)C(=O)C1)C
InChI=1SC21H21BrN2OSc14921(1223)18(135714(22)8613)1715(2419(21)26)1020(23)1116(17)25h4818H1911H223H3(H2426)
MFCD03799514
ZINC000100685922
ZINC000100685932
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