Vitas-M small molecule compound
methyl 4-[3-hydroxy-4-(2-methylpropoxy)phenyl]-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK817235
SMILES COC(=O)C1=C(C)NC(=S)NC1c1ccc(c(c1)O)OCC(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 C17H22N2O4S MW 350.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22N2O4S/c1-9(2)8-23-13-6-5-11(7-12(13)20)15-14(16(21)22-4)10(3)18-17(24)19-15/h5-7,9,15,20H,8H2,1-4H3,(H2,18,19,24)InChIKey
GDRPZFREKLEHAR-UHFFFAOYSA-NSynonyms
CC1=C(C(NC(=S)N1)C2=CC(=C(C=C2)OCC(C)C)O)C(=O)OC
InChI=1SC17H22N2O4Sc19(2)823136511(712(13)20)1514(16(21)224)10(3)1817(24)1915h5791520H8H214H3(H2181924)
METHYL4(3HYDROXY4(2METHYLPROPOXY)PHENYL)6METHYL2SULFANYLIDENE34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
methyl4(3hydroxy4(2methylpropoxy)phenyl)6methyl2thioxo1234tetrahydropyrimidine5carboxylate
MFCD04446313
ZINC000006307938
ZINC000006308017
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