Vitas-M small molecule compound
(3S,3a'R,8a'S,8b'S)-2'-(2-methyl-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
STL050803
SMILES O=C1N(C(=O)[C@H]2[C@@H]1[C@]1(C(=O)Nc3c1cccc3)N1[C@H]2CCC1)c1cccc(c1C)[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/c1-12-15(8-4-9-16(12)27(31)32)26-20(28)18-17-10-5-11-25(17)23(19(18)21(26)29)13-6-2-3-7-14(13)24-22(23)30/h2-4,6-9,17-19H,5,10-11H2,1H3,(H,24,30)/t17-,18+,19-,23+/m0/s1InChIKey
SFXPWAIGSAOZJV-QPXQOZNCSA-NSynonyms
1014005-33-4(3S3aR8aS8bS)2(2methyl3nitrophenyl)3a6788a8bhexahydro1Hspiro(indole34pyrrolo(34a)pyrrolizine)123(1H2H)trione
(3S3aR8aS8bS)2(2methyl3nitrophenyl)6788atetrahydro1Hspiro(indoline34pyrrolo(34a)pyrrolizine)123(2H3aH8bH)trione
(3S3aR8aS8bS)2(2methyl3nitrophenyl)spiro(1Hindole343a6788a8bhexahydropyrrolo(34a)pyrrolizine)123trione
1014005334
CC1=C(C=CC=C1(N+)(=O)(O))N2C(=O)C3C4CCCN4C5(C3C2=O)C6=CC=CC=C6NC5=O
InChI=1SC23H20N4O5c11215(84916(12)27(31)32)2620(28)18171051125(17)23(19(18)21(26)29)13623714(13)2422(23)30h24691719H51011H21H3(H2430)t1718+1923+m0s1
MFCD18249350
O=C1N(C(=O)(C@H)2(C@@H)1(C@)1(C(=O)Nc3c1cccc3)N1(C@H)2CCC1)c1cccc(c1C)(N+)(=O)(O)
ZINC000013786953
ZINC13786953
Check stock
See real-time availability and sample size for STL050803 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.