Vitas-M small molecule compound
2-amino-1-(4-bromophenyl)-4-(5-tert-butylthiophen-2-yl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK756176
SMILES N#CC1=C(N)N(c2ccc(cc2)Br)C2=C(C1c1ccc(s1)C(C)(C)C)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 C26H28BrN3OS MW 510.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28BrN3OS/c1-25(2,3)21-11-10-20(32-21)22-17(14-28)24(29)30(16-8-6-15(27)7-9-16)18-12-26(4,5)13-19(31)23(18)22/h6-11,22H,12-13,29H2,1-5H3InChIKey
ROBGKTAGYHSTKN-UHFFFAOYSA-NSynonyms
311782-86-22amino1(4bromophenyl)4(5tertbutylthiophen2yl)77dimethyl5oxo145678hexahydroquinoline3carbonitrile
2AMINO1(4BROMOPHENYL)4(5TERTBUTYLTHIOPHEN2YL)77DIMETHYL5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
311782862
CC1(CC2=C(C(C(=C(N2C3=CC=C(C=C3)Br)N)C#N)C4=CC=C(S4)C(C)(C)C)C(=O)C1)C
InChI=1SC26H28BrN3OSc125(23)21111020(3221)2217(1428)24(29)30(168615(27)7916)181226(45)1319(31)23(18)22h61122H121329H215H3
MFCD01304836
ZINC000002573751
ZINC000003663828
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