Vitas-M small molecule compound

2'-(4-chloro-3-nitrophenyl)-5-fluoro-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
STL234510
SMILES Fc1ccc2c(c1)C1(C(=O)N2)N2CCCC2C2C1C(=O)N(C2=O)c1ccc(c(c1)[N+](=O)[O-])Cl

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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 C22H16ClFN4O5 MW 470.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16ClFN4O5/c23-13-5-4-11(9-16(13)28(32)33)27-19(29)17-15-2-1-7-26(15)22(18(17)20(27)30)12-8-10(24)3-6-14(12)25-21(22)31/h3-6,8-9,15,17-18H,1-2,7H2,(H,25,31)
InChIKey
NUVIJMBHELZTOQ-UHFFFAOYSA-N
Synonyms

(3S3aR8aS8bS)2(4chloro3nitrophenyl)5fluoro6788atetrahydro1Hspiro(indoline34pyrrolo(34a)pyrrolizine)123(2H3aH8bH)trione
2(4chloro3nitrophenyl)5fluoro3a6788a8bhexahydro1Hspiro(indole34pyrrolo(34a)pyrrolizine)123(1H2H)trione
2(4chloro3nitrophenyl)5fluorospiro(1Hindole343a6788a8bhexahydropyrrolo(34a)pyrrolizine)123trione
C1CC2C3C(C(=O)N(C3=O)C4=CC(=C(C=C4)Cl)(N+)(=O)(O))C5(N2C1)C6=C(C=CC(=C6)F)NC5=O
Fc1ccc2c(c1)(C@@)1(C(=O)N2)N2CCC(C@H)2(C@@H)2(C@H)1C(=O)N(C2=O)c1ccc(c(c1)(N+)(=O)(O))Cl
Fc1ccc2c(c1)C1(C(=O)N2)N2CCCC2C2C1C(=O)N(C2=O)c1ccc(c(c1)(N+)(=O)(O))Cl
InChI=1SC22H16ClFN4O5c23135411(916(13)28(32)33)2719(29)171521726(15)22(18(17)20(27)30)12810(24)3614(12)2521(22)31h3689151718H127H2(H2531)
MFCD07212816
ZINC000016009674
ZINC000229654301

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Available files

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