Vitas-M small molecule compound
(3S,3a'R,8a'S,8b'S)-2'-(4-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
STL049380
SMILES O=C1N(c2ccc(c(c2)[N+](=O)[O-])C)C(=O)[C@H]2[C@@H]1[C@]1(C(=O)Nc3c1cccc3)N1[C@H]2CCC1
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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/c1-12-8-9-13(11-17(12)27(31)32)26-20(28)18-16-7-4-10-25(16)23(19(18)21(26)29)14-5-2-3-6-15(14)24-22(23)30/h2-3,5-6,8-9,11,16,18-19H,4,7,10H2,1H3,(H,24,30)/t16-,18+,19-,23+/m0/s1InChIKey
ALIWSXFLFIJKHK-QYUDBREXSA-NSynonyms
1013837-13-2(3S3aR8aS8bS)2(4methyl3nitrophenyl)3a6788a8bhexahydro1Hspiro(indole34pyrrolo(34a)pyrrolizine)123(1H2H)trione
(3S3aR8aS8bS)2(4methyl3nitrophenyl)6788atetrahydro1Hspiro(indoline34pyrrolo(34a)pyrrolizine)123(2H3aH8bH)trione
(3S3aR8aS8bS)2(4methyl3nitrophenyl)spiro(1Hindole343a6788a8bhexahydropyrrolo(34a)pyrrolizine)123trione
1013837132
CC1=C(C=C(C=C1)N2C(=O)C3C4CCCN4C5(C3C2=O)C6=CC=CC=C6NC5=O)(N+)(=O)(O)
InChI=1SC23H20N4O5c1128913(1117(12)27(31)32)2620(28)1816741025(16)23(19(18)21(26)29)14523615(14)2422(23)30h23568911161819H4710H21H3(H2430)t1618+1923+m0s1
MFCD18249261
O=C1N(c2ccc(c(c2)(N+)(=O)(O))C)C(=O)(C@H)2(C@@H)1(C@)1(C(=O)Nc3c1cccc3)N1(C@H)2CCC1
ZINC000020391839
ZINC20391839
Check stock
See real-time availability and sample size for STL049380 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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