Vitas-M small molecule compound
ethyl 3-acetyl-4-(1,3-benzodioxol-5-yl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK375664
SMILES CCOC(=O)C1=C(C)NC(=S)N(C1c1ccc2c(c1)OCO2)C(=O)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 C17H18N2O5S MW 362.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N2O5S/c1-4-22-16(21)14-9(2)18-17(25)19(10(3)20)15(14)11-5-6-12-13(7-11)24-8-23-12/h5-7,15H,4,8H2,1-3H3,(H,18,25)InChIKey
INGGXEUHXVIQPW-UHFFFAOYSA-NSynonyms
303141-19-7303141197
CCOC(=O)C1=C(NC(=S)N(C1C2=CC3=C(C=C2)OCO3)C(=O)C)C
ETHYL3ACETYL4(13BENZODIOXOL5YL)6METHYL2SULFANYLIDENE14DIHYDROPYRIMIDINE5CARBOXYLATE
ethyl3acetyl4(13benzodioxol5yl)6methyl2thioxo1234tetrahydropyrimidine5carboxylate
ethyl3acetyl4(benzo(d)(13)dioxol5yl)6methyl2thioxo1234tetrahydropyrimidine5carboxylate
ETHYL6(2HBENZO(34D)13DIOXOLAN5YL)1ACETYL4METHYL2THIOXO136TRIHYDROPYRIMIDINE5CARBOXYLATE
InChI=1SC17H18N2O5Sc142216(21)149(2)1817(25)19(10(3)20)15(14)11561213(711)2482312h5715H48H213H3(H1825)
MFCD01072322
ZINC000004150510
ZINC000004150511
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