Vitas-M small molecule compound

2-{[3-(4-chlorobenzyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-methyl-N-(3-methylphenyl)acetamide

Catalog ID
STL060378
SMILES Clc1ccc(cc1)Cn1c(SCC(=O)N(c2cccc(c2)C)C)nc2c(c1=O)cccc2

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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 C25H22ClN3O2S MW 463.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22ClN3O2S/c1-17-6-5-7-20(14-17)28(2)23(30)16-32-25-27-22-9-4-3-8-21(22)24(31)29(25)15-18-10-12-19(26)13-11-18/h3-14H,15-16H2,1-2H3
InChIKey
KCZPCTMJPFLELK-UHFFFAOYSA-N
Synonyms

2((3(4chlorobenzyl)4oxo34dihydroquinazolin2yl)sulfanyl)NmethylN(3methylphenyl)acetamide
2(3((4chlorophenyl)methyl)4oxoquinazolin2yl)sulfanylNmethylN(3methylphenyl)acetamide
CC1=CC(=CC=C1)N(C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)Cl
InChI=1SC25H22ClN3O2Sc11765720(1417)28(2)23(30)1632252722943821(22)24(31)29(25)1518101219(26)131118h314H1516H212H3
MFCD18193561
ZINC000057472806
ZINC57472806

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Available files

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