Vitas-M small molecule compound
methyl 4-(1,3-benzodioxol-5-yl)-6-methyl-3-propanoyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK373497
SMILES CCC(=O)N1C(=S)NC(=C(C1c1ccc2c(c1)OCO2)C(=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 C17H18N2O5S MW 362.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N2O5S/c1-4-13(20)19-15(10-5-6-11-12(7-10)24-8-23-11)14(16(21)22-3)9(2)18-17(19)25/h5-7,15H,4,8H2,1-3H3,(H,18,25)InChIKey
MOKCMKIEINIZMH-UHFFFAOYSA-NSynonyms
CCC(=O)N1C(C(=C(NC1=S)C)C(=O)OC)C2=CC3=C(C=C2)OCO3
InChI=1SC17H18N2O5Sc1413(20)1915(10561112(710)2482311)14(16(21)223)9(2)1817(19)25h5715H48H213H3(H1825)
METHYL4(13BENZODIOXOL5YL)6METHYL3PROPANOYL2SULFANYLIDENE14DIHYDROPYRIMIDINE5CARBOXYLATE
methyl4(13benzodioxol5yl)6methyl3propanoyl2thioxo1234tetrahydropyrimidine5carboxylate
METHYL6(2HBENZO(34D)13DIOXOLAN5YL)4METHYL1PROPANOYL2THIOXO136TRIHYDROPYRIMIDINE5CARBOXYLATE
MFCD00718226
ZINC000004100930
ZINC000004100933
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