Vitas-M small molecule compound
2-amino-1-(4-bromophenyl)-4-(4-bromothiophen-2-yl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK672692
SMILES N#CC1=C(N)N(c2ccc(cc2)Br)C2=C(C1c1scc(c1)Br)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 C22H19Br2N3OS MW 533.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19Br2N3OS/c1-22(2)8-16-20(17(28)9-22)19(18-7-13(24)11-29-18)15(10-25)21(26)27(16)14-5-3-12(23)4-6-14/h3-7,11,19H,8-9,26H2,1-2H3InChIKey
OFGUZYURAJQRNS-UHFFFAOYSA-NSynonyms
311316-59-32amino1(4bromophenyl)4(4bromothiophen2yl)77dimethyl5oxo145678hexahydroquinoline3carbonitrile
2AMINO1(4BROMOPHENYL)4(4BROMOTHIOPHEN2YL)77DIMETHYL5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
311316593
CC1(CC2=C(C(C(=C(N2C3=CC=C(C=C3)Br)N)C#N)C4=CC(=CS4)Br)C(=O)C1)C
InChI=1SC22H19Br2N3OSc122(2)81620(17(28)922)19(18713(24)112918)15(1025)21(26)27(16)145312(23)4614h371119H8926H212H3
MFCD00825669
ZINC000000713281
ZINC000000713282
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