Vitas-M small molecule compound
(1S,5S)-3-[(2S)-4-methyl-2-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)pentanoyl]-9-nitro-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL549490
SMILES CC(C[C@H](N1Cc2c(C1=O)cccc2)C(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)c(cc1)[N+](=O)[O-])C
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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 C25H28N4O5 MW 464.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N4O5/c1-15(2)9-22(28-14-17-5-3-4-6-19(17)23(28)30)24(31)26-11-16-10-18(13-26)20-7-8-21(29(33)34)25(32)27(20)12-16/h3-8,15-16,18,22H,9-14H2,1-2H3/t16-,18+,22-/m0/s1InChIKey
ILIFLOZGDVZPAF-CECAUBDESA-NSynonyms
(1R5S)3((S)4methyl2(1oxoisoindolin2yl)pentanoyl)9nitro3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
(1S5S)3((2S)4methyl2(1oxo13dihydro2Hisoindol2yl)pentanoyl)9nitro123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
CC(C(C@H)(N1Cc2c(C1=O)cccc2)C(=O)N1C(C@@H)2CC(C1)c1n(C2)c(=O)c(cc1)(N+)(=O)(O))C
InChI=1SC25H28N4O5c115(2)922(281417534619(17)23(28)30)24(31)2611161018(1326)207821(29(33)34)25(32)27(20)1216h3815161822H914H212H3t1618+22m0s1
ZINC001772492846
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