Vitas-M small molecule compound
2-ethoxy-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)-6-nitrophenolate
Catalog ID
STL147643
SMILES CCOc1cc(cc(c1[O-])[N+](=O)[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 C18H20N4O5S MW 404.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N4O5S/c1-3-27-12-7-9(6-11(15(12)23)22(25)26)16-19-17(24)14-10-4-5-21(2)8-13(10)28-18(14)20-16/h6-7,16,20,23H,3-5,8H2,1-2H3,(H,19,24)InChIKey
YHPWWKZOMYKNBF-UHFFFAOYSA-NSynonyms
497865-61-92ethoxy4(4hydroxy7methyl125678hexahydropyrido(4345)thieno(23d)pyrimidin7ium2yl)6nitrophenolate
2ethoxy4(7methyl4oxo235678hexahydro1Hpyrido(23)thieno(24d)pyrimidin7ium2yl)6nitrophenolate
497865619
CCOC1=CC(=CC(=C1(O))(N+)(=O)(O))C2NC3=C(C4=C(S3)C(NH+)(CC4)C)C(=O)N2
CCOc1cc(cc(c1(O))(N+)(=O)(O))C1N=C(O)c2c(N1)sc1c2CC(NH+)(C1)C
InChI=1SC18H20N4O5Sc13271279(611(15(12)23)22(25)26)161917(24)14104521(2)813(10)2818(14)2016h67162023H358H212H3(H1924)
MFCD20755236
ZINC000013597959
ZINC000018046179
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