Vitas-M small molecule compound

3-[5-(2-bromo-4,6-dimethylphenoxy)pentyl]-2-(4-chlorophenyl)quinazolin-4(3H)-one

Catalog ID
STK536009
SMILES Clc1ccc(cc1)c1nc2ccccc2c(=O)n1CCCCCOc1c(C)cc(cc1Br)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 C27H26BrClN2O2 MW 525.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26BrClN2O2/c1-18-16-19(2)25(23(28)17-18)33-15-7-3-6-14-31-26(20-10-12-21(29)13-11-20)30-24-9-5-4-8-22(24)27(31)32/h4-5,8-13,16-17H,3,6-7,14-15H2,1-2H3
InChIKey
QIHSXROHMAVRTK-UHFFFAOYSA-N
Synonyms

3(5(2bromo46dimethylphenoxy)pentyl)2(4chlorophenyl)quinazolin4(3H)one
3(5(2BROMO46DIMETHYLPHENOXY)PENTYL)2(4CHLOROPHENYL)QUINAZOLIN4ONE
CC1=CC(=C(C(=C1)Br)OCCCCCN2C(=NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)Cl)C
InChI=1SC27H26BrClN2O2c1181619(2)25(23(28)1718)3315736143126(20101221(29)131120)3024954822(24)27(31)32h458131617H3671415H212H3
MFCD02991361
ZINC000001827279
ZINC01827279
ZINC1827279

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Available files

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