Vitas-M small molecule compound

diethyl [(4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)sulfanyl]propanedioate

Catalog ID
STK542756
SMILES CCOC(=O)C(C(=O)OCC)Sc1nc2ccccc2c(=O)n1c1ccccc1

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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 C21H20N2O5S MW 412.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O5S/c1-3-27-19(25)17(20(26)28-4-2)29-21-22-16-13-9-8-12-15(16)18(24)23(21)14-10-6-5-7-11-14/h5-13,17H,3-4H2,1-2H3
InChIKey
AJAVYZJULCPWEB-UHFFFAOYSA-N
Synonyms
500144-20-7
500144207
CCOC(=O)C(C(=O)OCC)SC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3
diethyl((4oxo3phenyl34dihydroquinazolin2yl)sulfanyl)propanedioate
diethyl2((4oxo3phenyl34dihydroquinazolin2yl)thio)malonate
DIETHYL2(4OXO3PHENYLQUINAZOLIN2YL)SULFANYLPROPANEDIOATE
InChI=1SC21H20N2O5Sc132719(25)17(20(26)2842)2921221613981215(16)18(24)23(21)14106571114h51317H34H212H3
MFCD03304408
ZINC000002358607
ZINC02358607
ZINC2358607

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Available files

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