Vitas-M small molecule compound

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)-2,6-dimethoxyphenolate

Catalog ID
STL040307
SMILES COc1cc(cc(c1[O-])OC)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 C18H21N3O4S MW 375.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N3O4S/c1-21-5-4-10-13(8-21)26-18-14(10)17(23)19-16(20-18)9-6-11(24-2)15(22)12(7-9)25-3/h6-7,16,20,22H,4-5,8H2,1-3H3,(H,19,23)
InChIKey
KYEKZMZNSTYOPG-UHFFFAOYSA-N
Synonyms
488731-89-1
26dimethoxy4(7methyl4oxo235678hexahydro1Hpyrido(23)thieno(24d)pyrimidin7ium2yl)phenolate
4(4hydroxy7methyl125678hexahydropyrido(4345)thieno(23d)pyrimidin7ium2yl)26dimethoxyphenolate
488731891
C(NH+)1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=CC(=C(C(=C4)OC)(O))OC
COc1cc(cc(c1(O))OC)C1N=C(O)c2c(N1)sc1c2CC(NH+)(C1)C
InChI=1SC18H21N3O4Sc121541013(821)261814(10)17(23)1916(2018)9611(242)15(22)12(79)253h67162022H458H213H3(H1923)
MFCD14710629
ZINC000006727369
ZINC000006727371

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Available files

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