Vitas-M small molecule compound

(3S,3a'R,8a'S,8b'S)-2'-(2-methoxy-5-nitrophenyl)-5-methyl-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
STL048808
SMILES COc1ccc(cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(N3[C@H]2CCC3)C(=O)Nc2c1cc(C)cc2)[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/c1-12-5-7-15-14(10-12)24(23(31)25-15)20-19(16-4-3-9-26(16)24)21(29)27(22(20)30)17-11-13(28(32)33)6-8-18(17)34-2/h5-8,10-11,16,19-20H,3-4,9H2,1-2H3,(H,25,31)/t16-,19+,20-,24+/m0/s1
InChIKey
UKIMYBMMSAINOY-MDTICMOCSA-N
Synonyms
1013837-78-9
(3S3aR8aS8bS)2(2methoxy5nitrophenyl)5methyl3a6788a8bhexahydro1Hspiro(indole34pyrrolo(34a)pyrrolizine)123(1H2H)trione
(3S3aR8aS8bS)2(2methoxy5nitrophenyl)5methyl6788atetrahydro1Hspiro(indoline34pyrrolo(34a)pyrrolizine)123(2H3aH8bH)trione
(3S3aR8aS8bS)2(2methoxy5nitrophenyl)5methylspiro(1Hindole343a6788a8bhexahydropyrrolo(34a)pyrrolizine)123trione
1013837789
CC1=CC2=C(C=C1)NC(=O)C23C4C(C5N3CCC5)C(=O)N(C4=O)C6=C(C=CC(=C6)(N+)(=O)(O))OC
COc1ccc(cc1N1C(=O)(C@H)2(C@@H)(C1=O)(C@@)1(N3(C@H)2CCC3)C(=O)Nc2c1cc(C)cc2)(N+)(=O)(O)
InChI=1SC24H22N4O6c112571514(1012)24(23(31)2515)2019(1643926(16)24)21(29)27(22(20)30)171113(28(32)33)6818(17)342h581011161920H349H212H3(H2531)t1619+2024+m0s1
MFCD18249227
ZINC000049705696
ZINC49705696

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Available files

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