Vitas-M small molecule compound
3-(2,4-dimethoxyphenyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylic acid
Catalog ID
STL145138
SMILES COc1ccc(c(c1)OC)n1c(=S)[nH]c2c(c1=O)ccc(c2)C(=O)O
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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 C17H14N2O5S MW 358.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14N2O5S/c1-23-10-4-6-13(14(8-10)24-2)19-15(20)11-5-3-9(16(21)22)7-12(11)18-17(19)25/h3-8H,1-2H3,(H,18,25)(H,21,22)InChIKey
ZUCRCYBNURKAFO-UHFFFAOYSA-NSynonyms
422271-09-83(24DIMETHOXYPHENYL)4OXO2SULFANYLIDENE1HQUINAZOLINE7CARBOXYLICACID
3(24dimethoxyphenyl)4oxo2thioxo1234tetrahydroquinazoline7carboxylicacid
422271098
COC1=CC(=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)O)NC2=S)OC
COc1ccc(c(c1)OC)n1c(=S)(nH)c2c(c1=O)ccc(c2)C(=O)O
InChI=1SC17H14N2O5Sc123104613(14(810)242)1915(20)11539(16(21)22)712(11)1817(19)25h38H12H3(H1825)(H2122)
MFCD05023956
ZINC000003632922
ZINC3632922
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