Vitas-M small molecule compound

methyl 4-[({[3-(2-methylpropyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetyl)amino]benzoate

Catalog ID
STL018766
SMILES COC(=O)c1ccc(cc1)NC(=O)CSc1nc2ccccc2c(=O)n1CC(C)C

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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 C22H23N3O4S MW 425.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N3O4S/c1-14(2)12-25-20(27)17-6-4-5-7-18(17)24-22(25)30-13-19(26)23-16-10-8-15(9-11-16)21(28)29-3/h4-11,14H,12-13H2,1-3H3,(H,23,26)
InChIKey
RWUVKILJCSRAPD-UHFFFAOYSA-N
Synonyms

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=C(C=C3)C(=O)OC
InChI=1SC22H23N3O4Sc114(2)122520(27)17645718(17)2422(25)301319(26)231610815(91116)21(28)293h41114H1213H213H3(H2326)
methyl4((((3(2methylpropyl)4oxo34dihydroquinazolin2yl)sulfanyl)acetyl)amino)benzoate
METHYL4((2(3(2METHYLPROPYL)4OXOQUINAZOLIN2YL)SULFANYLACETYL)AMINO)BENZOATE
METHYL4(2(3(2METHYLPROPYL)4OXO3HYDROQUINAZOLIN2YLTHIO)ACETYLAMINO)BENZOATE
MFCD03431704
ZINC000001329071
ZINC01329071
ZINC1329071

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Available files

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