Vitas-M small molecule compound

(3aR,4S,8aR,8bS)-2-(2-methoxy-5-nitrophenyl)-4-[(4-methoxyphenyl)carbonyl]hexahydropyrrolo[3,4-a]pyrrolizine-1,3(2H,4H)-dione

Catalog ID
STK557924
SMILES COc1ccc(cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1N([C@@H]2C(=O)c2ccc(cc2)OC)CCC1)[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 C24H23N3O7 MW 465.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23N3O7/c1-33-15-8-5-13(6-9-15)22(28)21-20-19(16-4-3-11-25(16)21)23(29)26(24(20)30)17-12-14(27(31)32)7-10-18(17)34-2/h5-10,12,16,19-21H,3-4,11H2,1-2H3/t16-,19-,20-,21+/m1/s1
InChIKey
YXFPVVIKZVIGCR-OTNPHJDUSA-N
Synonyms
1013794-69-8
(3aR4S8aR8bS)2(2methoxy5nitrophenyl)4((4methoxyphenyl)carbonyl)hexahydropyrrolo(34a)pyrrolizine13(2H4H)dione
(3aR4S8aR8bS)2(2methoxy5nitrophenyl)4(4methoxybenzoyl)hexahydropyrrolo(34a)pyrrolizine13(2H8bH)dione
(3aR4S8aR8bS)4(4methoxybenzoyl)2(2methoxy5nitrophenyl)46788a8bhexahydro3aHpyrrolo(34a)pyrrolizine13dione
1013794698
COC1=CC=C(C=C1)C(=O)C2C3C(C4N2CCC4)C(=O)N(C3=O)C5=C(C=CC(=C5)(N+)(=O)(O))OC
COc1ccc(cc1N1C(=O)(C@@H)2(C@H)(C1=O)(C@@H)1N((C@@H)2C(=O)c2ccc(cc2)OC)CCC1)(N+)(=O)(O)
InChI=1SC24H23N3O7c133158513(6915)22(28)212019(16431125(16)21)23(29)26(24(20)30)171214(27(31)32)71018(17)342h51012161921H3411H212H3t16192021+m1s1
MFCD18243046
ZINC000034704280
ZINC34704280

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Available files

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