Vitas-M small molecule compound

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

Catalog ID
STL060210
SMILES CCCCNC(=O)CSc1nc2ccccc2c(=O)n1Cc1cccc(c1)Cl

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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/c1-2-3-11-23-19(26)14-28-21-24-18-10-5-4-9-17(18)20(27)25(21)13-15-7-6-8-16(22)12-15/h4-10,12H,2-3,11,13-14H2,1H3,(H,23,26)
InChIKey
JFQCTZOSNWQPLW-UHFFFAOYSA-N
Synonyms

CCCCNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3=CC(=CC=C3)Cl
InChI=1SC21H22ClN3O2Sc123112319(26)14282124181054917(18)20(27)25(21)131576816(22)1215h41012H23111314H21H3(H2326)
MFCD18193448
Nbutyl2((3(3chlorobenzyl)4oxo34dihydroquinazolin2yl)sulfanyl)acetamide
Nbutyl2(3((3chlorophenyl)methyl)4oxoquinazolin2yl)sulfanylacetamide
ZINC000057472582
ZINC57472582

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Available files

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