Vitas-M small molecule compound

5-(4-hydroxy-7-methyl-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-7-ium-2-yl)-2-methoxyphenolate

Catalog ID
STK559857
SMILES COc1ccc(cc1[O-])C1N=C(O)c2c(N1)sc1c2CC[NH+](C1)C

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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 C17H19N3O3S MW 345.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19N3O3S/c1-20-6-5-10-13(8-20)24-17-14(10)16(22)18-15(19-17)9-3-4-12(23-2)11(21)7-9/h3-4,7,15,19,21H,5-6,8H2,1-2H3,(H,18,22)
InChIKey
GRTQBOXVWYRXQP-UHFFFAOYSA-N
Synonyms
497241-78-8
2methoxy5(7methyl4oxo235678hexahydro1Hpyrido(23)thieno(24d)pyrimidin7ium2yl)phenolate
497241788
5(4hydroxy7methyl125678hexahydropyrido(4345)thieno(23d)pyrimidin7ium2yl)2methoxyphenolate
C(NH+)1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC(=C(C=C4)OC)(O)
COc1ccc(cc1(O))C1N=C(O)c2c(N1)sc1c2CC(NH+)(C1)C
InChI=1SC17H19N3O3Sc120651013(820)241714(10)16(22)1815(1917)93412(232)11(21)79h347151921H568H212H3(H1822)
MFCD14710630
ZINC000001250663
ZINC000001250665

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Available files

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