Vitas-M small molecule compound
methyl 3-acetyl-4-(1,3-benzodioxol-5-yl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK373496
SMILES COC(=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 C16H16N2O5S MW 348.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N2O5S/c1-8-13(15(20)21-3)14(18(9(2)19)16(24)17-8)10-4-5-11-12(6-10)23-7-22-11/h4-6,14H,7H2,1-3H3,(H,17,24)InChIKey
NDOJKSIASCGGHB-UHFFFAOYSA-NSynonyms
CC1=C(C(N(C(=S)N1)C(=O)C)C2=CC3=C(C=C2)OCO3)C(=O)OC
InChI=1SC16H16N2O5Sc1813(15(20)213)14(18(9(2)19)16(24)178)10451112(610)2372211h4614H7H213H3(H1724)
METHYL3ACETYL4(13BENZODIOXOL5YL)6METHYL2SULFANYLIDENE14DIHYDROPYRIMIDINE5CARBOXYLATE
methyl3acetyl4(13benzodioxol5yl)6methyl2thioxo1234tetrahydropyrimidine5carboxylate
METHYL6(2HBENZO(34D)13DIOXOLAN5YL)1ACETYL4METHYL2THIOXO136TRIHYDROPYRIMIDINE5CARBOXYLATE
MFCD00718225
ZINC000000306411
ZINC000000306415
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