Vitas-M small molecule compound
9,10-dimethoxy-6-{3-[(1S,5R)-9-nitro-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]-3-oxopropyl}-6,6a-dihydroisoindolo[2,1-a]quinazoline-5,11-dione
Catalog ID
STL550465
SMILES COc1ccc2c(c1OC)C(=O)N1C2N(CCC(=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 C31H29N5O8 MW 599.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29N5O8/c1-43-24-10-7-20-26(27(24)44-2)31(40)35-22-6-4-3-5-19(22)29(38)33(28(20)35)12-11-25(37)32-14-17-13-18(16-32)21-8-9-23(36(41)42)30(39)34(21)15-17/h3-10,17-18,28H,11-16H2,1-2H3/t17-,18+,28?/m0/s1InChIKey
GBSXLOSSOHRFFD-UWSFRVEYSA-NSynonyms
910dimethoxy6(3((1R5S)9nitro8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)3oxopropyl)66adihydroisoindolo(21a)quinazoline511dione
910dimethoxy6(3((1S5R)9nitro8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)3oxopropyl)66adihydroisoindolo(21a)quinazoline511dione
COc1ccc2c(c1OC)C(=O)N1C2N(CCC(=O)N2C(C@H)3C(C@@H)(C2)c2n(C3)c(=O)c(cc2)(N+)(=O)(O))C(=O)c2c1cccc2
InChI=1SC31H29N5O8c143241072026(27(24)442)31(40)3522643519(22)29(38)33(28(20)35)121125(37)3214171318(1632)218923(36(41)42)30(39)34(21)1517h310171828H1116H212H3t1718+28?m0s1
ZINC000604404616
ZINC000604404617
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