Vitas-M small molecule compound
(3S,3a'R,8a'S,8b'S)-2'-(2-chloro-4-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
STL041704
SMILES Fc1ccc2c(c1)[C@@]1(C(=O)N2)N2CCC[C@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1Cl)[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 C22H16ClFN4O5 MW 470.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16ClFN4O5/c23-13-9-11(28(32)33)4-6-15(13)27-19(29)17-16-2-1-7-26(16)22(18(17)20(27)30)12-8-10(24)3-5-14(12)25-21(22)31/h3-6,8-9,16-18H,1-2,7H2,(H,25,31)/t16-,17+,18-,22+/m0/s1InChIKey
UHXDDHDGRBUDMU-RQXXJAGISA-NSynonyms
1014021-36-3(3S3aR8aS8bS)2(2chloro4nitrophenyl)5fluoro3a6788a8bhexahydro1Hspiro(indole34pyrrolo(34a)pyrrolizine)123(1H2H)trione
(3S3aR8aS8bS)2(2chloro4nitrophenyl)5fluoro6788atetrahydro1Hspiro(indoline34pyrrolo(34a)pyrrolizine)123(2H3aH8bH)trione
(3S3aR8aS8bS)2(2chloro4nitrophenyl)5fluorospiro(1Hindole343a6788a8bhexahydropyrrolo(34a)pyrrolizine)123trione
1014021363
C1CC2C3C(C(=O)N(C3=O)C4=C(C=C(C=C4)(N+)(=O)(O))Cl)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(cc1Cl)(N+)(=O)(O)
InChI=1SC22H16ClFN4O5c2313911(28(32)33)4615(13)2719(29)171621726(16)22(18(17)20(27)30)12810(24)3514(12)2521(22)31h36891618H127H2(H2531)t1617+1822+m0s1
MFCD18248113
ZINC000016001835
ZINC16001835
Check stock
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Check stock on Vitas-MAvailable files
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