Vitas-M small molecule compound

(3S,3a'R,8a'S,8b'S)-5-methyl-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
STK569311
SMILES Cc1ccc2c(c1)[C@@]1(C(=O)N2)N2CCC[C@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(c(c1)[N+](=O)[O-])C

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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 C24H22N4O5 MW 446.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N4O5/c1-12-5-8-16-15(10-12)24(23(31)25-16)20-19(17-4-3-9-26(17)24)21(29)27(22(20)30)14-7-6-13(2)18(11-14)28(32)33/h5-8,10-11,17,19-20H,3-4,9H2,1-2H3,(H,25,31)/t17-,19+,20-,24+/m0/s1
InChIKey
WAPMDJIAMPNFDS-QLBZUPSYSA-N
Synonyms
1014042-41-1
(3S3aR8aS8bS)5methyl2(4methyl3nitrophenyl)3a6788a8bhexahydro1Hspiro(indole34pyrrolo(34a)pyrrolizine)123(1H2H)trione
(3S3aR8aS8bS)5methyl2(4methyl3nitrophenyl)6788atetrahydro1Hspiro(indoline34pyrrolo(34a)pyrrolizine)123(2H3aH8bH)trione
(3S3aR8aS8bS)5methyl2(4methyl3nitrophenyl)spiro(1Hindole343a6788a8bhexahydropyrrolo(34a)pyrrolizine)123trione
1014042411
CC1=CC2=C(C=C1)NC(=O)C23C4C(C5N3CCC5)C(=O)N(C4=O)C6=CC(=C(C=C6)C)(N+)(=O)(O)
Cc1ccc2c(c1)(C@@)1(C(=O)N2)N2CCC(C@H)2(C@@H)2(C@H)1C(=O)N(C2=O)c1ccc(c(c1)(N+)(=O)(O))C
InChI=1SC24H22N4O5c112581615(1012)24(23(31)2516)2019(1743926(17)24)21(29)27(22(20)30)147613(2)18(1114)28(32)33h581011171920H349H212H3(H2531)t1719+2024+m0s1
MFCD18245283
ZINC000015990265
ZINC15990265

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Available files

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