Vitas-M small molecule compound

(3S,3a'R,8a'S,8b'S)-5,7-dimethyl-2'-(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
STK570892
SMILES Cc1cc(C)c2c(c1)[C@@]1(C(=O)N2)N2CCC[C@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1)[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 C24H22N4O5 MW 446.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N4O5/c1-12-10-13(2)20-16(11-12)24(23(31)25-20)19-18(17-4-3-9-26(17)24)21(29)27(22(19)30)14-5-7-15(8-6-14)28(32)33/h5-8,10-11,17-19H,3-4,9H2,1-2H3,(H,25,31)/t17-,18+,19-,24+/m0/s1
InChIKey
XXWJWFMHFBTDCO-UAKAABGRSA-N
Synonyms
1013982-48-3
(3S3aR8aS8bS)57dimethyl2(4nitrophenyl)3a6788a8bhexahydro1Hspiro(indole34pyrrolo(34a)pyrrolizine)123(1H2H)trione
(3S3aR8aS8bS)57dimethyl2(4nitrophenyl)6788atetrahydro1Hspiro(indoline34pyrrolo(34a)pyrrolizine)123(2H3aH8bH)trione
(3S3aR8aS8bS)57dimethyl2(4nitrophenyl)spiro(1Hindole343a6788a8bhexahydropyrrolo(34a)pyrrolizine)123trione
1013982483
CC1=CC(=C2C(=C1)C3(C4C(C5N3CCC5)C(=O)N(C4=O)C6=CC=C(C=C6)(N+)(=O)(O))C(=O)N2)C
Cc1cc(C)c2c(c1)(C@@)1(C(=O)N2)N2CCC(C@H)2(C@@H)2(C@H)1C(=O)N(C2=O)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC24H22N4O5c1121013(2)2016(1112)24(23(31)2520)1918(1743926(17)24)21(29)27(22(19)30)145715(8614)28(32)33h5810111719H349H212H3(H2531)t1718+1924+m0s1
MFCD18245395
ZINC000016000209
ZINC16000209

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Available files

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