Vitas-M small molecule compound
2-{[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]amino}-4-(methylsulfinyl)butanoic acid
Catalog ID
STL553560
SMILES CS(=O)CCC(C(=O)O)NC=C1C(=O)N(C)C(=O)N(C1=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 C12H17N3O6S MW 331.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H17N3O6S/c1-14-9(16)7(10(17)15(2)12(14)20)6-13-8(11(18)19)4-5-22(3)21/h6,8,13H,4-5H2,1-3H3,(H,18,19)InChIKey
YNKAVFKHRJTFFQ-UHFFFAOYSA-NSynonyms
2(((13dimethyl246trioxotetrahydropyrimidin5(2H)ylidene)methyl)amino)4(methylsulfinyl)butanoicacid
InChI=1SC12H17N3O6Sc1149(16)7(10(17)15(2)12(14)20)6138(11(18)19)4522(3)21h6813H45H213H3(H1819)
MFCD04145542
ZINC000020412100
ZINC000020412110
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