Vitas-M small molecule compound

methyl 4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Catalog ID
STK284540
SMILES CCOc1cc(ccc1O)C1NC(=S)NC(=C1C(=O)OC)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 C15H18N2O4S MW 322.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H18N2O4S/c1-4-21-11-7-9(5-6-10(11)18)13-12(14(19)20-3)8(2)16-15(22)17-13/h5-7,13,18H,4H2,1-3H3,(H2,16,17,22)
InChIKey
AZMFBZLWBXBTFP-UHFFFAOYSA-N
Synonyms
333768-43-7
333768437
CCOC1=C(C=CC(=C1)C2C(=C(NC(=S)N2)C)C(=O)OC)O
InChI=1SC15H18N2O4Sc14211179(5610(11)18)1312(14(19)203)8(2)1615(22)1713h571318H4H213H3(H2161722)
METHYL4(3ETHOXY4HYDROXYPHENYL)6METHYL2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
methyl4(3ethoxy4hydroxyphenyl)6methyl2thioxo1234tetrahydropyrimidine5carboxylate
MFCD01409959
ZINC000000275862
ZINC000000275864
ZINC00275862

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Available files

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