Vitas-M small molecule compound

methyl 4-methyl-3-(4-oxo-2-sulfanylquinazolin-3(4H)-yl)benzoate

Catalog ID
STL171669
SMILES COC(=O)c1ccc(c(c1)n1c(S)nc2c(c1=O)cccc2)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 C17H14N2O3S MW 326.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14N2O3S/c1-10-7-8-11(16(21)22-2)9-14(10)19-15(20)12-5-3-4-6-13(12)18-17(19)23/h3-9H,1-2H3,(H,18,23)
InChIKey
AJRFEZIEFUFOOU-UHFFFAOYSA-N
Synonyms
752991-02-9
752991029
CC1=C(C=C(C=C1)C(=O)OC)N2C(=O)C3=CC=CC=C3NC2=S
InChI=1SC17H14N2O3Sc1107811(16(21)222)914(10)1915(20)12534613(12)1817(19)23h39H12H3(H1823)
METHYL4METHYL3(4OXO2SULFANYLIDENE1HQUINAZOLIN3YL)BENZOATE
methyl4methyl3(4oxo2sulfanylquinazolin3(4H)yl)benzoate
MFCD04046823
ZINC000007045922
ZINC07045922
ZINC7045922

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Available files

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