Vitas-M small molecule compound
2-amino-1-(3-bromophenyl)-4-{3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STL174357
SMILES N#CC1=C(N)N(c2cccc(c2)Br)C2=C(C1c1ccc(c(c1)COc1ccc(cc1)F)OC)C(=O)CCC2
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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 C30H25BrFN3O3 MW 574.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25BrFN3O3/c1-37-27-13-8-18(14-19(27)17-38-23-11-9-21(32)10-12-23)28-24(16-33)30(34)35(22-5-2-4-20(31)15-22)25-6-3-7-26(36)29(25)28/h2,4-5,8-15,28H,3,6-7,17,34H2,1H3InChIKey
IJGAMFYSILRTOO-UHFFFAOYSA-NSynonyms
444926-15-22amino1(3bromophenyl)4(3((4fluorophenoxy)methyl)4methoxyphenyl)5oxo145678hexahydroquinoline3carbonitrile
2amino1(3bromophenyl)4(3((4fluorophenoxy)methyl)4methoxyphenyl)5oxo4678tetrahydroquinoline3carbonitrile
444926152
COC1=C(C=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC(=CC=C4)Br)N)C#N)COC5=CC=C(C=C5)F
InChI=1SC30H25BrFN3O3c1372713818(1419(27)17382311921(32)101223)2824(1633)30(34)35(2252420(31)1522)2563726(36)29(25)28h24581528H3671734H21H3
MFCD02606312
ZINC000002089772
ZINC000002089773
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