Vitas-M small molecule compound
3-({[4,6-dihydroxy-5-(3-methylbutyl)pyrimidin-2-yl]sulfanyl}acetyl)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL528883
SMILES CC(CCc1c(O)nc(nc1O)SCC(=O)N1CC2CC(C1)c1n(C2)c(=O)ccc1)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 C22H28N4O4S MW 444.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N4O4S/c1-13(2)6-7-16-20(29)23-22(24-21(16)30)31-12-19(28)25-9-14-8-15(11-25)17-4-3-5-18(27)26(17)10-14/h3-5,13-15H,6-12H2,1-2H3,(H2,23,24,29,30)InChIKey
RRPZKGOVHLYLHU-UHFFFAOYSA-NSynonyms
11(2((4hydroxy5(3methylbutyl)6oxo1~(H)pyrimidin2yl)sulfanyl)acetyl)711diazatricyclo(7310^(27))trideca24dien6one
3(((46dihydroxy5(3methylbutyl)pyrimidin2yl)sulfanyl)acetyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
3357243
InChI=1SC22H28N4O4Sc113(2)671620(29)2322(2421(16)30)311219(28)25914815(1125)1743518(27)26(17)1014h351315H612H212H3(H223242930)
MFCD05726831
ZINC000015955560
Check stock
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Check stock on Vitas-MAvailable files
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