Vitas-M small molecule compound

methyl 3-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-4-oxo-3,4-dihydroquinazoline-7-carboxylate

Catalog ID
STL366070
SMILES COC(=O)c1ccc2c(c1)ncn(c2=O)CC(=O)N1CCN(CC1)c1cccc(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 C22H21ClN4O4 MW 440.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21ClN4O4/c1-31-22(30)15-5-6-18-19(11-15)24-14-27(21(18)29)13-20(28)26-9-7-25(8-10-26)17-4-2-3-16(23)12-17/h2-6,11-12,14H,7-10,13H2,1H3
InChIKey
WPZVUONHGZRTSJ-UHFFFAOYSA-N
Synonyms

COC(=O)C1=CC2=C(C=C1)C(=O)N(C=N2)CC(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl
InChI=1SC22H21ClN4O4c13122(30)15561819(1115)241427(21(18)29)1320(28)269725(81026)1742316(23)1217h26111214H71013H21H3
methyl3(2(4(3chlorophenyl)piperazin1yl)2oxoethyl)4oxo34dihydroquinazoline7carboxylate
methyl3(2(4(3chlorophenyl)piperazin1yl)2oxoethyl)4oxoquinazoline7carboxylate
MFCD13886047
ZINC000020004217
ZINC20004217

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Available files

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