Vitas-M small molecule compound
9,10-dimethoxy-6-{6-[(1S,5R)-9-nitro-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]-6-oxohexyl}-6,6a-dihydroisoindolo[2,1-a]quinazoline-5,11-dione
Catalog ID
STL550974
SMILES COc1ccc2c(c1OC)C(=O)N1C2N(CCCCCC(=O)N2C[C@H]3C[C@@H](C2)c2n(C3)c(=O)c(cc2)[N+](=O)[O-])C(=O)c2c1cccc2
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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 C34H35N5O8 MW 641.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H35N5O8/c1-46-27-14-11-23-29(30(27)47-2)34(43)38-25-9-6-5-8-22(25)32(41)36(31(23)38)15-7-3-4-10-28(40)35-17-20-16-21(19-35)24-12-13-26(39(44)45)33(42)37(24)18-20/h5-6,8-9,11-14,20-21,31H,3-4,7,10,15-19H2,1-2H3/t20-,21+,31?/m0/s1InChIKey
KIPKWIWDFXMOOX-HHLJYWRRSA-NSynonyms
910dimethoxy6(6((1R5S)9nitro8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)6oxohexyl)66adihydroisoindolo(21a)quinazoline511dione
910dimethoxy6(6((1S5R)9nitro8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)6oxohexyl)66adihydroisoindolo(21a)quinazoline511dione
COc1ccc2c(c1OC)C(=O)N1C2N(CCCCCC(=O)N2C(C@H)3C(C@@H)(C2)c2n(C3)c(=O)c(cc2)(N+)(=O)(O))C(=O)c2c1cccc2
InChI=1SC34H35N5O8c1462714112329(30(27)472)34(43)3825965822(25)32(41)36(31(23)38)157341028(40)3517201621(1935)24121326(39(44)45)33(42)37(24)1820h56891114202131H347101519H212H3t2021+31?m0s1
ZINC000604404956
ZINC000604404960
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.