Vitas-M small molecule compound
2-{[(4-amino-6-hydroxypyrimidin-2-yl)sulfanyl]methyl}-1,3,4-benzoxadiazepin-5-ol
Catalog ID
STK795926
SMILES Nc1nc(SCC2=NN=C(c3c(O2)cccc3)O)nc(c1)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 C13H11N5O3S MW 317.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H11N5O3S/c14-9-5-10(19)16-13(15-9)22-6-11-17-18-12(20)7-3-1-2-4-8(7)21-11/h1-5H,6H2,(H,18,20)(H3,14,15,16,19)InChIKey
QBBWCMDNFMRDFO-UHFFFAOYSA-NSynonyms
946970-69-02(((4amino6hydroxypyrimidin2yl)sulfanyl)methyl)134benzoxadiazepin5ol
2(((4amino6hydroxypyrimidin2yl)thio)methyl)benzo(f)(134)oxadiazepin5ol
2((6amino4oxo1Hpyrimidin2yl)sulfanylmethyl)4H134benzoxadiazepin5one
946970690
C1=CC=C2C(=C1)C(=O)NN=C(O2)CSC3=NC(=O)C=C(N3)N
InChI=1SC13H11N5O3Sc149510(19)1613(159)22611171812(20)731248(7)2111h15H6H2(H1820)(H314151619)
MFCD09164314
ZINC000010491813
ZINC10491813
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