Vitas-M small molecule compound
(3S,3a'R,8a'S,8b'S)-2'-(2-methyl-4-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
STK549694
SMILES Cc1cc(ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(N3[C@H]2CCC3)C(=O)Nc2c1cccc2)[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 C23H20N4O5 MW 432.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N4O5/c1-12-11-13(27(31)32)8-9-16(12)26-20(28)18-17-7-4-10-25(17)23(19(18)21(26)29)14-5-2-3-6-15(14)24-22(23)30/h2-3,5-6,8-9,11,17-19H,4,7,10H2,1H3,(H,24,30)/t17-,18+,19-,23+/m0/s1InChIKey
LBMAHEZVNQZSEB-QPXQOZNCSA-NSynonyms
1014081-06-1(3S3aR8aS8bS)2(2methyl4nitrophenyl)3a6788a8bhexahydro1Hspiro(indole34pyrrolo(34a)pyrrolizine)123(1H2H)trione
(3S3aR8aS8bS)2(2methyl4nitrophenyl)6788atetrahydro1Hspiro(indoline34pyrrolo(34a)pyrrolizine)123(2H3aH8bH)trione
(3S3aR8aS8bS)2(2methyl4nitrophenyl)spiro(1Hindole343a6788a8bhexahydropyrrolo(34a)pyrrolizine)123trione
1014081061
CC1=C(C=CC(=C1)(N+)(=O)(O))N2C(=O)C3C4CCCN4C5(C3C2=O)C6=CC=CC=C6NC5=O
Cc1cc(ccc1N1C(=O)(C@H)2(C@@H)(C1=O)(C@@)1(N3(C@H)2CCC3)C(=O)Nc2c1cccc2)(N+)(=O)(O)
InChI=1SC23H20N4O5c1121113(27(31)32)8916(12)2620(28)1817741025(17)23(19(18)21(26)29)14523615(14)2422(23)30h235689111719H4710H21H3(H2430)t1718+1923+m0s1
MFCD18242487
ZINC000034847917
ZINC34847917
Check stock
See real-time availability and sample size for STK549694 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.