Vitas-M small molecule compound
2-[(4-amino-6-hydroxypyrimidin-2-yl)sulfanyl]-5,6-dimethoxy-2,3-dihydro-1H-inden-1-one
Catalog ID
STK655237
SMILES COc1cc2c(cc1OC)CC(C2=O)Sc1nc(N)cc(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 C15H15N3O4S MW 333.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H15N3O4S/c1-21-9-3-7-4-11(14(20)8(7)5-10(9)22-2)23-15-17-12(16)6-13(19)18-15/h3,5-6,11H,4H2,1-2H3,(H3,16,17,18,19)InChIKey
QWFDAICAVYVLPF-UHFFFAOYSA-NSynonyms
1144474-31-61144474316
2((4amino6hydroxypyrimidin2yl)sulfanyl)56dimethoxy23dihydro1Hinden1one
2((4amino6hydroxypyrimidin2yl)thio)56dimethoxy23dihydro1Hinden1one
6amino2((56dimethoxy3oxo12dihydroinden2yl)sulfanyl)1Hpyrimidin4one
COC1=C(C=C2C(=C1)CC(C2=O)SC3=NC(=O)C=C(N3)N)OC
InChI=1SC15H15N3O4Sc121937411(14(20)8(7)510(9)222)23151712(16)613(19)1815h35611H4H212H3(H316171819)
MFCD12212543
ZINC000032074939
ZINC000032074942
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