Vitas-M small molecule compound
(5Z)-5-{[(1,3-benzodioxol-5-ylmethyl)amino]methylidene}-6-hydroxy-2-sulfanylpyrimidin-4(5H)-one
Catalog ID
STK559804
SMILES SC1=NC(=O)/C(=C\NCc2ccc3c(c2)OCO3)/C(=N1)O
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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 C13H11N3O4S MW 305.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H11N3O4S/c17-11-8(12(18)16-13(21)15-11)5-14-4-7-1-2-9-10(3-7)20-6-19-9/h1-3,5,14H,4,6H2,(H2,15,16,17,18,21)InChIKey
ZXMXHPKFBIFNQT-UHFFFAOYSA-NSynonyms
(5Z)5(((13benzodioxol5ylmethyl)amino)methylidene)6hydroxy2sulfanylpyrimidin4(5H)one
5((13BENZODIOXOL5YLMETHYLAMINO)METHYLIDENE)2SULFANYLIDENE13DIAZINANE46DIONE
C1OC2=C(O1)C=C(C=C2)CNC=C3C(=O)NC(=S)NC3=O
InChI=1SC13H11N3O4Sc17118(12(18)1613(21)1511)5144712910(37)206199h13514H46H2(H21516171821)
MFCD04079184
SC1=NC(=O)C(=CNCc2ccc3c(c2)OCO3)C(=N1)O
ZINC000101082431
ZINC05819068
ZINC101082431
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