Vitas-M small molecule compound
4-methyl 2-propan-2-yl 5-{[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}-3-methylthiophene-2,4-dicarboxylate
Catalog ID
STK878428
SMILES COC(=O)c1c(NC=C2C(=O)NC(=S)NC2=O)sc(c1C)C(=O)OC(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 C16H17N3O6S2 MW 411.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N3O6S2/c1-6(2)25-15(23)10-7(3)9(14(22)24-4)13(27-10)17-5-8-11(20)18-16(26)19-12(8)21/h5-6,17H,1-4H3,(H2,18,19,20,21,26)InChIKey
UNRDVDSFKJDBMG-UHFFFAOYSA-NSynonyms
4methyl2propan2yl5(((46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)amino)3methylthiophene24dicarboxylate
4Omethyl2Opropan2yl5((46dioxo2sulfanylidene13diazinan5ylidene)methylamino)3methylthiophene24dicarboxylate
CC1=C(SC(=C1C(=O)OC)NC=C2C(=O)NC(=S)NC2=O)C(=O)OC(C)C
InChI=1SC16H17N3O6S2c16(2)2515(23)107(3)9(14(22)244)13(2710)175811(20)1816(26)1912(8)21h5617H14H3(H21819202126)
MFCD18170298
ZINC000040476920
ZINC40476920
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