Vitas-M small molecule compound

methyl 4-oxo-3-(pyridin-2-yl)-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate

Catalog ID
STK261886
SMILES COC(=O)c1ccc2c(c1)[nH]c(=S)n(c2=O)c1ccccn1

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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 C15H11N3O3S MW 313.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H11N3O3S/c1-21-14(20)9-5-6-10-11(8-9)17-15(22)18(13(10)19)12-4-2-3-7-16-12/h2-8H,1H3,(H,17,22)
InChIKey
FMJPZCGMUXXNPA-UHFFFAOYSA-N
Synonyms

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)C3=CC=CC=N3
COC(=O)c1ccc2c(c1)(nH)c(=S)n(c2=O)c1ccccn1
InChI=1SC15H11N3O3Sc12114(20)9561011(89)1715(22)18(13(10)19)1242371612h28H1H3(H1722)
METHYL4OXO3(2PYRIDYL)2THIOXO13DIHYDROQUINAZOLINE7CARBOXYLATE
methyl4oxo3(pyridin2yl)2thioxo1234tetrahydroquinazoline7carboxylate
methyl4oxo3pyridin2yl2sulfanylidene1Hquinazoline7carboxylate
MFCD07184015
ZINC000008702628
ZINC08702628
ZINC8702628

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Available files

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