Vitas-M small molecule compound
5-{[4,6-dihydroxy-2-(methylsulfanyl)pyrimidin-5-yl](pyridin-2-yl)methyl}-6-hydroxy-2-(methylsulfanyl)pyrimidin-4(1H)-one
Catalog ID
STK559901
SMILES CSc1nc(O)c(c(n1)O)C(c1c(O)[nH]c(nc1=O)SC)c1ccccn1
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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 C16H15N5O4S2 MW 405.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15N5O4S2/c1-26-15-18-11(22)9(12(23)19-15)8(7-5-3-4-6-17-7)10-13(24)20-16(27-2)21-14(10)25/h3-6,8H,1-2H3,(H2,18,19,22,23)(H2,20,21,24,25)InChIKey
GDJDONXLZAWRRY-UHFFFAOYSA-NSynonyms
578720-18-04HYDROXY5((4HYDROXY2METHYLSULFANYL6OXO1HPYRIMIDIN5YL)PYRIDIN2YLMETHYL)2METHYLSULFANYL1HPYRIMIDIN6ONE
5((46dihydroxy2(methylsulfanyl)pyrimidin5yl)(pyridin2yl)methyl)6hydroxy2(methylsulfanyl)pyrimidin4(1H)one
578720180
CSC1=NC(=C(C(=O)N1)C(C2=CC=CC=N2)C3=C(N=C(NC3=O)SC)O)O
CSc1nc(O)c(c(n1)O)C(c1c(O)(nH)c(nc1=O)SC)c1ccccn1
InChI=1SC16H15N5O4S2c126151811(22)9(12(23)1915)8(75346177)1013(24)2016(272)2114(10)25h368H12H3(H218192223)(H220212425)
MFCD04072296
ZINC000016225521
ZINC16225521
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