Vitas-M small molecule compound

(3S,3a'R,8a'S,8b'S)-7-chloro-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
STL057241
SMILES COc1cc(c(cc1[N+](=O)[O-])C)N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(N3[C@H]2CCC3)C(=O)Nc2c1cccc2Cl

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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 C24H21ClN4O6 MW 496.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21ClN4O6/c1-11-9-16(29(33)34)17(35-2)10-15(11)28-21(30)18-14-7-4-8-27(14)24(19(18)22(28)31)12-5-3-6-13(25)20(12)26-23(24)32/h3,5-6,9-10,14,18-19H,4,7-8H2,1-2H3,(H,26,32)/t14-,18+,19-,24+/m0/s1
InChIKey
ZMTLKOZTVDKFKY-HVXFUGBPSA-N
Synonyms
1013853-19-4
(3S3aR8aS8bS)7chloro2(5methoxy2methyl4nitrophenyl)3a6788a8bhexahydro1Hspiro(indole34pyrrolo(34a)pyrrolizine)123(1H2H)trione
(3S3aR8aS8bS)7chloro2(5methoxy2methyl4nitrophenyl)6788atetrahydro1Hspiro(indoline34pyrrolo(34a)pyrrolizine)123(2H3aH8bH)trione
(3S3aR8aS8bS)7chloro2(5methoxy2methyl4nitrophenyl)spiro(1Hindole343a6788a8bhexahydropyrrolo(34a)pyrrolizine)123trione
1013853194
CC1=CC(=C(C=C1N2C(=O)C3C4CCCN4C5(C3C2=O)C6=C(C(=CC=C6)Cl)NC5=O)OC)(N+)(=O)(O)
COc1cc(c(cc1(N+)(=O)(O))C)N1C(=O)(C@H)2(C@@H)(C1=O)(C@@)1(N3(C@H)2CCC3)C(=O)Nc2c1cccc2Cl
InChI=1SC24H21ClN4O6c111916(29(33)34)17(352)1015(11)2821(30)181474827(14)24(19(18)22(28)31)1253613(25)20(12)2623(24)32h356910141819H478H212H3(H2632)t1418+1924+m0s1
MFCD18249795
ZINC000020392891
ZINC20392891

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Available files

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