Vitas-M small molecule compound
(1S,5R)-9-nitro-3-[(5-oxo-1-phenylpyrrolidin-3-yl)carbonyl]-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one
Catalog ID
STL549543
SMILES O=C(C1CN(C(=O)C1)c1ccccc1)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)c(cc1)[N+](=O)[O-]
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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 C22H22N4O5 MW 422.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O5/c27-20-9-16(13-24(20)17-4-2-1-3-5-17)21(28)23-10-14-8-15(12-23)18-6-7-19(26(30)31)22(29)25(18)11-14/h1-7,14-16H,8-13H2/t14-,15+,16?/m1/s1InChIKey
ONNUDULBLMXRDQ-YSPPHNQVSA-NSynonyms
(1~(S)9~(R))5nitro11(5oxo1phenylpyrrolidine3carbonyl)711diazatricyclo(7310^(27))trideca24dien6one
(1R5S)9nitro3(5oxo1phenylpyrrolidine3carbonyl)3456tetrahydro1H15methanopyrido(12a)(15)diazocin8(2H)one
(1S5R)9nitro3((5oxo1phenylpyrrolidin3yl)carbonyl)123456hexahydro8H15methanopyrido(12a)(15)diazocin8one
135639827
InChI=1SC22H22N4O5c2720916(1324(20)174213517)21(28)231014815(1223)186719(26(30)31)22(29)25(18)1114h171416H813H2t1415+16?m1s1
O=C(C1CN(C(=O)C1)c1ccccc1)N1C(C@H)2C(C@H)(C1)c1n(C2)c(=O)c(cc1)(N+)(=O)(O)
ZINC001547205989
ZINC001547205990
Check stock
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Check stock on Vitas-MAvailable files
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