Vitas-M small molecule compound
3-hydroxy-4-(4-hydroxy-7-methyl-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-7-ium-2-yl)phenolate
Catalog ID
STL045618
SMILES C[NH+]1CCc2c(C1)sc1c2C(=NC(N1)c1ccc(cc1O)[O-])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 C16H17N3O3S MW 331.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N3O3S/c1-19-5-4-10-12(7-19)23-16-13(10)15(22)17-14(18-16)9-3-2-8(20)6-11(9)21/h2-3,6,14,18,20-21H,4-5,7H2,1H3,(H,17,22)InChIKey
PTLNTCXVHDDESR-UHFFFAOYSA-NSynonyms
489425-71-02(24dihydroxyphenyl)7methyl123568hexahydropyrido(23)thieno(24d)pyrimidin4one
3hydroxy4(4hydroxy7methyl125678hexahydropyrido(4345)thieno(23d)pyrimidin7ium2yl)phenolate
489425710
C(NH+)1CCc2c(C1)sc1c2C(=NC(N1)c1ccc(cc1O)(O))O
CN1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=C(C=C(C=C4)O)O
InChI=1SC16H17N3O3Sc119541012(719)231613(10)15(22)1714(1816)9328(20)611(9)21h23614182021H457H21H3(H1722)
MFCD18248672
ZINC000004905840
ZINC000004905844
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