Vitas-M small molecule compound
1-hexyl-4-hydroxy-5-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)-6-oxo-1,6-dihydropyrimidine-2-thiolate
Catalog ID
STL528803
SMILES CCCCCCn1c([S-])nc(c(c1=O)C1[NH+](C)CCc2c1c(OC)c1c(c2)OCO1)O
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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 C22H29N3O5S MW 447.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29N3O5S/c1-4-5-6-7-9-25-21(27)16(20(26)23-22(25)31)17-15-13(8-10-24(17)2)11-14-18(19(15)28-3)30-12-29-14/h11,17,26H,4-10,12H2,1-3H3,(H,23,31)InChIKey
BXKRTCJKFXGAOQ-UHFFFAOYSA-NSynonyms
1hexyl4hydroxy5(4methoxy6methyl5678tetrahydro(13)dioxolo(45g)isoquinolin6ium5yl)6oxo16dihydropyrimidine2thiolate
InChI=1SC22H29N3O5Sc1456792521(27)16(20(26)2322(25)31)171513(81024(17)2)111418(19(15)283)30122914h111726H41012H213H3(H2331)
MFCD31753901
ZINC000009360655
ZINC000009360660
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