Vitas-M small molecule compound

2-amino-1-(4-chlorophenyl)-4-{4-methoxy-3-[(2,4,6-tribromophenoxy)methyl]phenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

Catalog ID
STL174428
SMILES N#CC1=C(N)N(c2ccc(cc2)Cl)C2=C(C1c1ccc(c(c1)COc1c(Br)cc(cc1Br)Br)OC)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 C32H27Br3ClN3O3 MW 776.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H27Br3ClN3O3/c1-32(2)13-25-29(26(40)14-32)28(22(15-37)31(38)39(25)21-7-5-20(36)6-8-21)17-4-9-27(41-3)18(10-17)16-42-30-23(34)11-19(33)12-24(30)35/h4-12,28H,13-14,16,38H2,1-3H3
InChIKey
QOVOATBREWSFNY-UHFFFAOYSA-N
Synonyms
444933-74-8
2amino1(4chlorophenyl)4(4methoxy3((246tribromophenoxy)methyl)phenyl)77dimethyl5oxo145678hexahydroquinoline3carbonitrile
2AMINO1(4CHLOROPHENYL)4(4METHOXY3((246TRIBROMOPHENOXY)METHYL)PHENYL)77DIMETHYL5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
444933748
CC1(CC2=C(C(C(=C(N2C3=CC=C(C=C3)Cl)N)C#N)C4=CC(=C(C=C4)OC)COC5=C(C=C(C=C5Br)Br)Br)C(=O)C1)C
InChI=1SC32H27Br3ClN3O3c132(2)132529(26(40)1432)28(22(1537)31(38)39(25)217520(36)6821)174927(413)18(1017)16423023(34)1119(33)1224(30)35h41228H13141638H213H3
MFCD02606946
ZINC000097959844
ZINC000097959845

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Available files

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