Vitas-M small molecule compound
9,10-dimethoxy-6-{2-[(1S,5R)-9-nitro-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]-2-oxoethyl}-6,6a-dihydroisoindolo[2,1-a]quinazoline-5,11-dione
Catalog ID
STL549844
SMILES COc1ccc2c(c1OC)C(=O)N1C2N(CC(=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 C30H27N5O8 MW 585.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27N5O8/c1-42-23-10-7-19-25(26(23)43-2)30(39)34-21-6-4-3-5-18(21)28(37)33(27(19)34)15-24(36)31-12-16-11-17(14-31)20-8-9-22(35(40)41)29(38)32(20)13-16/h3-10,16-17,27H,11-15H2,1-2H3/t16-,17+,27?/m0/s1InChIKey
ORPMEIKOCMYYBM-KRXSAHMKSA-NSynonyms
910dimethoxy6(2((1R5S)9nitro8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)2oxoethyl)66adihydroisoindolo(21a)quinazoline511dione
910dimethoxy6(2((1S5R)9nitro8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)2oxoethyl)66adihydroisoindolo(21a)quinazoline511dione
COc1ccc2c(c1OC)C(=O)N1C2N(CC(=O)N2C(C@H)3C(C@@H)(C2)c2n(C3)c(=O)c(cc2)(N+)(=O)(O))C(=O)c2c1cccc2
InChI=1SC30H27N5O8c142231071925(26(23)432)30(39)3421643518(21)28(37)33(27(19)34)1524(36)3112161117(1431)208922(35(40)41)29(38)32(20)1316h310161727H1115H212H3t1617+27?m0s1
ZINC000604405482
ZINC000604405485
Check stock
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