Vitas-M small molecule compound
(3aR,4S,8aS,8bS)-2-(2-methoxy-5-nitrophenyl)-4-(phenylcarbonyl)hexahydropyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-dione
Catalog ID
STK553228
SMILES COc1ccc(cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H](N1[C@H]2CCC1)C(=O)c1ccccc1)[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 C23H21N3O6 MW 435.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N3O6/c1-32-17-10-9-14(26(30)31)12-16(17)25-22(28)18-15-8-5-11-24(15)20(19(18)23(25)29)21(27)13-6-3-2-4-7-13/h2-4,6-7,9-10,12,15,18-20H,5,8,11H2,1H3/t15-,18+,19+,20-/m0/s1InChIKey
VHKHFMYNLHHQFA-OBZTUIKSSA-NSynonyms
1014079-79-8(3aR4S8aS8bS)2(2methoxy5nitrophenyl)4(phenylcarbonyl)hexahydropyrrolo(34a)pyrrolizine13(2H4H)dione
(3aR4S8aS8bS)4benzoyl2(2methoxy5nitrophenyl)46788a8bhexahydro3aHpyrrolo(34a)pyrrolizine13dione
(3aR4S8aS8bS)4benzoyl2(2methoxy5nitrophenyl)hexahydropyrrolo(34a)pyrrolizine13(2H8bH)dione
1014079798
COC1=C(C=C(C=C1)(N+)(=O)(O))N2C(=O)C3C4CCCN4C(C3C2=O)C(=O)C5=CC=CC=C5
COc1ccc(cc1N1C(=O)(C@H)2(C@@H)(C1=O)(C@H)(N1(C@H)2CCC1)C(=O)c1ccccc1)(N+)(=O)(O)
InChI=1SC23H21N3O6c1321710914(26(30)31)1216(17)2522(28)1815851124(15)20(19(18)23(25)29)21(27)136324713h246791012151820H5811H21H3t1518+19+20m0s1
MFCD18242702
ZINC000020190506
ZINC20190506
Check stock
See real-time availability and sample size for STK553228 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.