Vitas-M small molecule compound

7-chloro-5-methyl-2'-(2-methyl-3-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
STL053818
SMILES Cc1cc(Cl)c2c(c1)C1(C(=O)N2)N2CCCC2C2C1C(=O)N(C2=O)c1cccc(c1C)[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/c1-11-9-13-20(14(25)10-11)26-23(32)24(13)19-18(17-7-4-8-27(17)24)21(30)28(22(19)31)15-5-3-6-16(12(15)2)29(33)34/h3,5-6,9-10,17-19H,4,7-8H2,1-2H3,(H,26,32)
InChIKey
SNEZOXROAPVRQK-UHFFFAOYSA-N
Synonyms

(3S3aR8aS8bS)7chloro5methyl2(2methyl3nitrophenyl)6788atetrahydro1Hspiro(indoline34pyrrolo(34a)pyrrolizine)123(2H3aH8bH)trione
7chloro5methyl2(2methyl3nitrophenyl)3a6788a8bhexahydro1Hspiro(indole34pyrrolo(34a)pyrrolizine)123(1H2H)trione
7chloro5methyl2(2methyl3nitrophenyl)spiro(1Hindole343a6788a8bhexahydropyrrolo(34a)pyrrolizine)123trione
CC1=CC(=C2C(=C1)C3(C4C(C5N3CCC5)C(=O)N(C4=O)C6=C(C(=CC=C6)(N+)(=O)(O))C)C(=O)N2)Cl
Cc1cc(Cl)c2c(c1)(C@@)1(C(=O)N2)N2CCC(C@H)2(C@@H)2(C@H)1C(=O)N(C2=O)c1cccc(c1C)(N+)(=O)(O)
Cc1cc(Cl)c2c(c1)C1(C(=O)N2)N2CCCC2C2C1C(=O)N(C2=O)c1cccc(c1C)(N+)(=O)(O)
InChI=1SC24H21ClN4O5c11191320(14(25)1011)2623(32)24(13)1918(1774827(17)24)21(30)28(22(19)31)1553616(12(15)2)29(33)34h3569101719H478H212H3(H2632)
MFCD07198573
ZINC000016010155
ZINC000245247244

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Available files

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