Vitas-M small molecule compound
4-hydroxy-5-{[6-hydroxy-4-oxo-3-(prop-2-en-1-yl)-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl](4-methoxy-3-{[(1R,5R)-8-oxo-1,3,5,6,8-pentahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3-ium-3(4H)-yl]methyl}phenyl)methyl}-6-oxo-1-(prop-2-en-1-yl)-1,6-dihydro
Catalog ID
STL528462
SMILES C=CCn1c([S-])nc(c(c1=O)C(c1c(O)[nH]c(=S)n(c1=O)CC=C)c1ccc(c(c1)C[NH+]1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)OC)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 C34H36N6O6S2 MW 688.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H36N6O6S2/c1-4-11-38-31(44)27(29(42)35-33(38)47)26(28-30(43)36-34(48)39(12-5-2)32(28)45)20-9-10-24(46-3)22(14-20)18-37-15-19-13-21(17-37)23-7-6-8-25(41)40(23)16-19/h4-10,14,19,21,26,42-43H,1-2,11-13,15-18H2,3H3,(H,35,47)(H,36,48)/t19-,21+/m0/sInChIKey
SDAMSXUWASHSPW-PZJWPPBQSA-NSynonyms
4hydroxy5((6hydroxy4oxo3(prop2en1yl)2thioxo1234tetrahydropyrimidin5yl)(4methoxy3(((1R5R)8oxo13568pentahydro2H15methanopyrido(12a)(15)diazocin3ium3(4H)yl)methyl)phenyl)methyl)6oxo1(prop2en1yl)16dihydro
InChI=1SC34H36N6O6S2c14113831(44)27(29(42)3533(38)47)26(2830(43)3634(48)39(1252)32(28)45)2091024(463)22(1420)183715191321(1737)2376825(41)40(23)1619h410141921264243H1211131518H23H3(H3547)(H3648)t1921+m0s1
ZINC000079204105
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