Vitas-M small molecule compound

(3S,3a'R,8a'S,8b'S)-6-chloro-7-methyl-2'-(2-methyl-5-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
STL042127
SMILES O=C1N(C(=O)[C@H]2[C@@H]1[C@]1(C(=O)Nc3c1ccc(c3C)Cl)N1[C@H]2CCC1)c1cc(ccc1C)[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/c1-11-5-6-13(29(33)34)10-17(11)28-21(30)18-16-4-3-9-27(16)24(19(18)22(28)31)14-7-8-15(25)12(2)20(14)26-23(24)32/h5-8,10,16,18-19H,3-4,9H2,1-2H3,(H,26,32)/t16-,18+,19-,24+/m0/s1
InChIKey
LUKHITMRTGBWBF-NARGUJOISA-N
Synonyms
1014026-54-0
(3S3aR8aS8bS)6chloro7methyl2(2methyl5nitrophenyl)3a6788a8bhexahydro1Hspiro(indole34pyrrolo(34a)pyrrolizine)123(1H2H)trione
(3S3aR8aS8bS)6chloro7methyl2(2methyl5nitrophenyl)6788atetrahydro1Hspiro(indoline34pyrrolo(34a)pyrrolizine)123(2H3aH8bH)trione
(3S3aR8aS8bS)6chloro7methyl2(2methyl5nitrophenyl)spiro(1Hindole343a6788a8bhexahydropyrrolo(34a)pyrrolizine)123trione
1014026540
CC1=C(C=C(C=C1)(N+)(=O)(O))N2C(=O)C3C4CCCN4C5(C3C2=O)C6=C(C(=C(C=C6)Cl)C)NC5=O
InChI=1SC24H21ClN4O5c1115613(29(33)34)1017(11)2821(30)181643927(16)24(19(18)22(28)31)147815(25)12(2)20(14)2623(24)32h5810161819H349H212H3(H2632)t1618+1924+m0s1
MFCD18248137
O=C1N(C(=O)(C@H)2(C@@H)1(C@)1(C(=O)Nc3c1ccc(c3C)Cl)N1(C@H)2CCC1)c1cc(ccc1C)(N+)(=O)(O)
ZINC000035844035
ZINC35844035

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Available files

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