Vitas-M small molecule compound

methyl 4-[({[3-(4-bromophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetyl)amino]benzoate

Catalog ID
STK078556
SMILES COC(=O)c1ccc(cc1)NC(=O)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)Br

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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 C24H18BrN3O4S MW 524.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H18BrN3O4S/c1-32-23(31)15-6-10-17(11-7-15)26-21(29)14-33-24-27-20-5-3-2-4-19(20)22(30)28(24)18-12-8-16(25)9-13-18/h2-13H,14H2,1H3,(H,26,29)
InChIKey
PKARSCMFIWEPDE-UHFFFAOYSA-N
Synonyms
499104-27-7
499104277
COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Br
COC(=O)c1ccc(cc1)NC(=O)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)Br
InChI=1SC24H18BrN3O4Sc13223(31)1561017(11715)2621(29)1433242720532419(20)22(30)28(24)1812816(25)91318h213H14H21H3(H2629)
METHYL4((((3(4BROMOPHENYL)4OXO34DIHYDROQUINAZOLIN2YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL4((2(3(4BROMOPHENYL)4OXOQUINAZOLIN2YL)SULFANYLACETYL)AMINO)BENZOATE
METHYL4(2((3(4BROMOPHENYL)4OXO34DIHYDROQUINAZOLIN2YL)SULFANYL)ACETAMIDO)BENZOATE
methyl4(2((3(4bromophenyl)4oxo34dihydroquinazolin2yl)thio)acetamido)benzoate
METHYL4(2(3(4BROMOPHENYL)4OXO3HYDROQUINAZOLIN2YLTHIO)ACETYLAMINO)BENZOATE
MFCD03224192
STK078556
ZINC000001088876
ZINC01088876
ZINC1088876

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Available files

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