Vitas-M small molecule compound

5-chloro-7-methyl-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
STK568353
SMILES Clc1cc(C)c2c(c1)C1(C(=O)N2)N2CCCC2C2C1C(=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 C24H21ClN4O5 MW 480.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21ClN4O5/c1-11-9-14(29(33)34)5-6-16(11)28-21(30)18-17-4-3-7-27(17)24(19(18)22(28)31)15-10-13(25)8-12(2)20(15)26-23(24)32/h5-6,8-10,17-19H,3-4,7H2,1-2H3,(H,26,32)
InChIKey
HMBXWFXTMTZORJ-UHFFFAOYSA-N
Synonyms

(3S3aR8aS8bS)5chloro7methyl2(2methyl4nitrophenyl)6788atetrahydro1Hspiro(indoline34pyrrolo(34a)pyrrolizine)123(2H3aH8bH)trione
5chloro7methyl2(2methyl4nitrophenyl)3a6788a8bhexahydro1Hspiro(indole34pyrrolo(34a)pyrrolizine)123(1H2H)trione
5chloro7methyl2(2methyl4nitrophenyl)spiro(1Hindole343a6788a8bhexahydropyrrolo(34a)pyrrolizine)123trione
CC1=C(C=CC(=C1)(N+)(=O)(O))N2C(=O)C3C4CCCN4C5(C3C2=O)C6=CC(=CC(=C6NC5=O)C)Cl
Clc1cc(C)c2c(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)
Clc1cc(C)c2c(c1)C1(C(=O)N2)N2CCCC2C2C1C(=O)N(C2=O)c1ccc(cc1C)(N+)(=O)(O)
InChI=1SC24H21ClN4O5c111914(29(33)34)5616(11)2821(30)181743727(17)24(19(18)22(28)31)151013(25)812(2)20(15)2623(24)32h568101719H347H212H3(H2632)
MFCD07210970
ZINC000016009777
ZINC000227022337

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Available files

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