Vitas-M small molecule compound
3,4-dibromo-2-(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-methoxyphenolate
Catalog ID
STL047734
SMILES COc1cc(Br)c(c(c1[O-])C1N=C(O)c2c(N1)sc1c2CC[NH+](C1)C)Br
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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 C17H17Br2N3O3S MW 503.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17Br2N3O3S/c1-22-4-3-7-10(6-22)26-17-11(7)16(24)20-15(21-17)12-13(19)8(18)5-9(25-2)14(12)23/h5,15,21,23H,3-4,6H2,1-2H3,(H,20,24)InChIKey
XOPSHRVEBZDZOT-UHFFFAOYSA-NSynonyms
500197-70-62(23dibromo6hydroxy5methoxyphenyl)7methyl123568hexahydropyrido(23)thieno(24d)pyrimidin4one
34dibromo2(4hydroxy7methyl125678hexahydropyrido(4345)thieno(23d)pyrimidin7ium2yl)6methoxyphenolate
500197706
CN1CCC2=C(C1)SC3=C2C(=O)NC(N3)C4=C(C(=CC(=C4Br)Br)OC)O
COc1cc(Br)c(c(c1(O))C1N=C(O)c2c(N1)sc1c2CC(NH+)(C1)C)Br
InChI=1SC17H17Br2N3O3Sc12243710(622)261711(7)16(24)2015(2117)1213(19)8(18)59(252)14(12)23h5152123H346H212H3(H2024)
MFCD18249124
ZINC000001250478
ZINC000009186607
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