Vitas-M small molecule compound
2-tert-butyl 4-methyl 5-{[(4,6-dioxo-2-thioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}-3-methylthiophene-2,4-dicarboxylate
Catalog ID
STK878427
SMILES COC(=O)c1c(NC=C2C(=O)NC(=S)NC2=O)sc(c1C)C(=O)OC(C)(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 C17H19N3O6S2 MW 425.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19N3O6S2/c1-7-9(14(23)25-5)13(28-10(7)15(24)26-17(2,3)4)18-6-8-11(21)19-16(27)20-12(8)22/h6,18H,1-5H3,(H2,19,20,21,22,27)InChIKey
XZFOCBDGSMJQFF-UHFFFAOYSA-NSynonyms
2Otertbutyl4Omethyl5((46dioxo2sulfanylidene13diazinan5ylidene)methylamino)3methylthiophene24dicarboxylate
2tertbutyl4methyl5(((46dioxo2thioxotetrahydropyrimidin5(2H)ylidene)methyl)amino)3methylthiophene24dicarboxylate
CC1=C(SC(=C1C(=O)OC)NC=C2C(=O)NC(=S)NC2=O)C(=O)OC(C)(C)C
InChI=1SC17H19N3O6S2c179(14(23)255)13(2810(7)15(24)2617(23)4)186811(21)1916(27)2012(8)22h618H15H3(H21920212227)
MFCD18170297
ZINC000040476918
ZINC40476918
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