Vitas-M small molecule compound
methyl 3-hydroxy-5-{4-(methylsulfanyl)-1-oxo-1-[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]butan-2-yl}-5H-pyrazolo[4,3-c]pyridine-7-carboxylate
Catalog ID
STL546992
SMILES CSCCC(C(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)n1cc(C(=O)OC)c2c(c1)c(O)nn2
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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 C24H27N5O5S MW 497.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27N5O5S/c1-34-24(33)17-13-27(12-16-21(17)25-26-22(16)31)19(6-7-35-2)23(32)28-9-14-8-15(11-28)18-4-3-5-20(30)29(18)10-14/h3-5,12-15,19H,6-11H2,1-2H3,(H,26,31)/t14-,15+,19?/m0/s1InChIKey
SMXKNDKSOHHRPN-FPHLKLNRSA-NSynonyms
InChI=1SC24H27N5O5Sc13424(33)171327(121621(17)252622(16)31)19(67352)23(32)28914815(1128)1843520(30)29(18)1014h35121519H611H212H3(H2631)t1415+19?m0s1
methyl3hydroxy5(4(methylsulfanyl)1oxo1((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)butan2yl)5Hpyrazolo(43c)pyridine7carboxylate
ZINC000263586311
ZINC000409415610
Check stock
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Check stock on Vitas-MAvailable files
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