Vitas-M small molecule compound

N,N'-(2,2-dimethylpropane-1,3-diyl)bis[6-bromo-2-(4-tert-butylphenyl)quinoline-4-carboxamide]

Catalog ID
STK426103
SMILES Brc1ccc2c(c1)c(cc(n2)c1ccc(cc1)C(C)(C)C)C(=O)NCC(CNC(=O)c1cc(nc2c1cc(Br)cc2)c1ccc(cc1)C(C)(C)C)(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 C45H46Br2N4O2 MW 834.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C45H46Br2N4O2/c1-43(2,3)29-13-9-27(10-14-29)39-23-35(33-21-31(46)17-19-37(33)50-39)41(52)48-25-45(7,8)26-49-42(53)36-24-40(51-38-20-18-32(47)22-34(36)38)28-11-15-30(16-12-28)44(4,5)6/h9-24H,25-26H2,1-8H3,(H,48,52)(H,49,53)
InChIKey
HTCKSXHGYZBLHO-UHFFFAOYSA-N
Synonyms

(2(4(TERTBUTYL)PHENYL)6BROMO(4QUINOLYL))N(3((2(4(TERTBUTYL)PHENYL)6BROMO(4QUINOLYL))CARBONYLAMINO)22DIMETHYLPROPYL)CARBOXAMIDE
6BROMON(3((6BROMO2(4TERTBUTYLPHENYL)QUINOLINE4CARBONYL)AMINO)22DIMETHYLPROPYL)2(4TERTBUTYLPHENYL)QUINOLINE4CARBOXAMIDE
CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NCC(C)(C)CNC(=O)C4=CC(=NC5=C4C=C(C=C5)Br)C6=CC=C(C=C6)C(C)(C)C
InChI=1SC45H46Br2N4O2c143(23)2913927(101429)392335(332131(46)171937(33)5039)41(52)482545(78)264942(53)362440(5138201832(47)2234(36)38)28111530(161228)44(45)6h924H2526H218H3(H4852)(H4953)
MFCD02608403
NN(22dimethylpropane13diyl)bis(6bromo2(4tertbutylphenyl)quinoline4carboxamide)
ZINC000097949318
ZINC97949318

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.