Vitas-M small molecule compound

(3S,3a'R,8a'S,8b'S)-5-methoxy-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
STK568250
SMILES COc1ccc2c(c1)[C@@]1(C(=O)N2)N2CCC[C@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1C)[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 C24H22N4O6 MW 462.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N4O6/c1-12-10-13(28(32)33)5-8-17(12)27-21(29)19-18-4-3-9-26(18)24(20(19)22(27)30)15-11-14(34-2)6-7-16(15)25-23(24)31/h5-8,10-11,18-20H,3-4,9H2,1-2H3,(H,25,31)/t18-,19+,20-,24+/m0/s1
InChIKey
DGSJIPGDKZIUTJ-CMCWBKRRSA-N
Synonyms
1013872-05-3
(3S3aR8aS8bS)5methoxy2(2methyl4nitrophenyl)3a6788a8bhexahydro1Hspiro(indole34pyrrolo(34a)pyrrolizine)123(1H2H)trione
(3S3aR8aS8bS)5methoxy2(2methyl4nitrophenyl)6788atetrahydro1Hspiro(indoline34pyrrolo(34a)pyrrolizine)123(2H3aH8bH)trione
(3S3aR8aS8bS)5methoxy2(2methyl4nitrophenyl)spiro(1Hindole343a6788a8bhexahydropyrrolo(34a)pyrrolizine)123trione
1013872053
CC1=C(C=CC(=C1)(N+)(=O)(O))N2C(=O)C3C4CCCN4C5(C3C2=O)C6=C(C=CC(=C6)OC)NC5=O
COc1ccc2c(c1)(C@@)1(C(=O)N2)N2CCC(C@H)2(C@@H)2(C@H)1C(=O)N(C2=O)c1ccc(cc1C)(N+)(=O)(O)
InChI=1SC24H22N4O6c1121013(28(32)33)5817(12)2721(29)191843926(18)24(20(19)22(27)30)151114(342)6716(15)2523(24)31h5810111820H349H212H3(H2531)t1819+2024+m0s1
MFCD18245216
ZINC000015998853
ZINC15998853

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Available files

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