Vitas-M small molecule compound
(3S,3a'R,8b'S)-2'-(3-nitrophenyl)-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizine]-1',2,3'(1H,2'H)-trione
Catalog ID
STK630366
SMILES O=C1N(c2cccc(c2)[N+](=O)[O-])C(=O)[C@H]2[C@@H]1[C@]1(C(=O)Nc3c1cccc3)N1C2CCC1
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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 C22H18N4O5 MW 418.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N4O5/c27-19-17-16-9-4-10-24(16)22(14-7-1-2-8-15(14)23-21(22)29)18(17)20(28)25(19)12-5-3-6-13(11-12)26(30)31/h1-3,5-8,11,16-18H,4,9-10H2,(H,23,29)/t16?,17-,18+,22-/m1/s1InChIKey
WMOIDSVFHDUYQF-MLOZMYIXSA-NSynonyms
1013982-05-2(3S3aR8bS)2(3nitrophenyl)3a6788a8bhexahydro1Hspiro(indole34pyrrolo(34a)pyrrolizine)123(1H2H)trione
(3S3aR8bS)2(3nitrophenyl)6788atetrahydro1Hspiro(indoline34pyrrolo(34a)pyrrolizine)123(2H3aH8bH)trione
(3S3aR8bS)2(3nitrophenyl)spiro(1Hindole343a6788a8bhexahydropyrrolo(34a)pyrrolizine)123trione
1013982052
C1CC2C3C(C(=O)N(C3=O)C4=CC(=CC=C4)(N+)(=O)(O))C5(N2C1)C6=CC=CC=C6NC5=O
InChI=1SC22H18N4O5c27191716941024(16)22(14712815(14)2321(22)29)18(17)20(28)25(19)1253613(1112)26(30)31h1358111618H4910H2(H2329)t16?1718+22m1s1
MFCD18246521
O=C1N(c2cccc(c2)(N+)(=O)(O))C(=O)(C@H)2(C@@H)1(C@)1(C(=O)Nc3c1cccc3)N1C2CCC1
ZINC000013540524
ZINC000033667775
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.