Vitas-M small molecule compound

N-(3-chloro-4-fluorobenzyl)-2-[3-(3-methoxypropyl)-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl]acetamide

Catalog ID
STK901851
SMILES COCCCn1c(=O)n(CC(=O)NCc2ccc(c(c2)Cl)F)c2c(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 C21H21ClFN3O4 MW 433.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClFN3O4/c1-30-10-4-9-25-20(28)15-5-2-3-6-18(15)26(21(25)29)13-19(27)24-12-14-7-8-17(23)16(22)11-14/h2-3,5-8,11H,4,9-10,12-13H2,1H3,(H,24,27)
InChIKey
JFSIMZVNCHNSJP-UHFFFAOYSA-N
Synonyms

COCCCN1C(=O)C2=CC=CC=C2N(C1=O)CC(=O)NCC3=CC(=C(C=C3)F)Cl
InChI=1SC21H21ClFN3O4c13010492520(28)15523618(15)26(21(25)29)1319(27)2412147817(23)16(22)1114h235811H49101213H21H3(H2427)
MFCD18174548
N((3chloro4fluorophenyl)methyl)2(3(3methoxypropyl)24dioxoquinazolin1yl)acetamide
N(3chloro4fluorobenzyl)2(3(3methoxypropyl)24dioxo34dihydroquinazolin1(2H)yl)acetamide
ZINC000044841238
ZINC44841238

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Available files

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