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-iodo-6-methoxyphenolate

Catalog ID
STK563189
SMILES COc1cc(cc(c1[O-])I)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 C17H18IN3O3S MW 471.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18IN3O3S/c1-21-4-3-9-12(7-21)25-17-13(9)16(23)19-15(20-17)8-5-10(18)14(22)11(6-8)24-2/h5-6,15,20,22H,3-4,7H2,1-2H3,(H,19,23)
InChIKey
KPHSPVFYASEKQB-UHFFFAOYSA-N
Synonyms
499985-19-2
4(4hydroxy7methyl125678hexahydropyrido(4345)thieno(23d)pyrimidin7ium2yl)2iodo6methoxyphenolate
499985192
COc1cc(cc(c1(O))I)C1N=C(O)c2c(N1)sc1c2CC(NH+)(C1)C
MFCD18187250
ZINC000008919594
ZINC000008919601

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Available files

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