Vitas-M small molecule compound
2-amino-1-(3-bromophenyl)-7,7-dimethyl-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK760165
SMILES N#CC1=C(N)N(C2=C(C1c1cscc1)C(=O)CC(C2)(C)C)c1cccc(c1)Br
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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 C22H20BrN3OS MW 454.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20BrN3OS/c1-22(2)9-17-20(18(27)10-22)19(13-6-7-28-12-13)16(11-24)21(25)26(17)15-5-3-4-14(23)8-15/h3-8,12,19H,9-10,25H2,1-2H3InChIKey
QXQPLNLWHNINEL-UHFFFAOYSA-NSynonyms
2amino1(3bromophenyl)77dimethyl5oxo4(thiophen3yl)145678hexahydroquinoline3carbonitrile
2AMINO1(3BROMOPHENYL)77DIMETHYL5OXO4THIOPHEN3YL68DIHYDRO4HQUINOLINE3CARBONITRILE
CC1(CC2=C(C(C(=C(N2C3=CC(=CC=C3)Br)N)C#N)C4=CSC=C4)C(=O)C1)C
InChI=1SC22H20BrN3OSc122(2)91720(18(27)1022)19(1367281213)16(1124)21(25)26(17)1553414(23)815h381219H91025H212H3
MFCD01572047
ZINC000000707324
ZINC000000707325
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