Vitas-M small molecule compound

7-ethyl-2'-(5-methoxy-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
STL054956
SMILES COc1cc(c(cc1[N+](=O)[O-])C)N1C(=O)C2C(C1=O)C1(N3C2CCC3)C(=O)Nc2c1cccc2CC

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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 C26H26N4O6 MW 490.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N4O6/c1-4-14-7-5-8-15-22(14)27-25(33)26(15)21-20(16-9-6-10-28(16)26)23(31)29(24(21)32)17-12-19(36-3)18(30(34)35)11-13(17)2/h5,7-8,11-12,16,20-21H,4,6,9-10H2,1-3H3,(H,27,33)
InChIKey
XKDZDNYNWNYBJG-UHFFFAOYSA-N
Synonyms

(3S3aR8aS8bS)7ethyl2(5methoxy2methyl4nitrophenyl)6788atetrahydro1Hspiro(indoline34pyrrolo(34a)pyrrolizine)123(2H3aH8bH)trione
7ethyl2(5methoxy2methyl4nitrophenyl)3a6788a8bhexahydro1Hspiro(indole34pyrrolo(34a)pyrrolizine)123(1H2H)trione
7ethyl2(5methoxy2methyl4nitrophenyl)spiro(1Hindole343a6788a8bhexahydropyrrolo(34a)pyrrolizine)123trione
CCC1=CC=CC2=C1NC(=O)C23C4C(C5N3CCC5)C(=O)N(C4=O)C6=CC(=C(C=C6C)(N+)(=O)(O))OC
COc1cc(c(cc1(N+)(=O)(O))C)N1C(=O)(C@H)2(C@@H)(C1=O)(C@@)1(N3(C@H)2CCC3)C(=O)Nc2c1cccc2CC
COc1cc(c(cc1(N+)(=O)(O))C)N1C(=O)C2C(C1=O)C1(N3C2CCC3)C(=O)Nc2c1cccc2CC
InChI=1SC26H26N4O6c14147581522(14)2725(33)26(15)2120(16961028(16)26)23(31)29(24(21)32)171219(363)18(30(34)35)1113(17)2h5781112162021H46910H213H3(H2733)
MFCD07211689
ZINC000035851750
ZINC000245247795

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Available files

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