Vitas-M small molecule compound

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

Catalog ID
STL018708
SMILES O=C(CSc1nc2ccccc2c(=O)n1CC(C)C)NCc1ccccc1Cl

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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 C21H22ClN3O2S MW 415.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22ClN3O2S/c1-14(2)12-25-20(27)16-8-4-6-10-18(16)24-21(25)28-13-19(26)23-11-15-7-3-5-9-17(15)22/h3-10,14H,11-13H2,1-2H3,(H,23,26)
InChIKey
GMXWMXPZXGRHOI-UHFFFAOYSA-N
Synonyms

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCC3=CC=CC=C3Cl
InChI=1SC21H22ClN3O2Sc114(2)122520(27)168461018(16)2421(25)281319(26)231115735917(15)22h31014H1113H212H3(H2326)
MFCD05316919
N((2chlorophenyl)methyl)2(3(2methylpropyl)4oxoquinazolin2yl)sulfanylacetamide
N(2chlorobenzyl)2((3(2methylpropyl)4oxo34dihydroquinazolin2yl)sulfanyl)acetamide
ZINC000008230276
ZINC08230276
ZINC8230276

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Available files

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