Vitas-M small molecule compound

(3S,3a'R,8a'S,8b'S)-2'-(4-chloro-3-nitrophenyl)-5-methyl-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
STL040552
SMILES Cc1ccc2c(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

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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 C23H19ClN4O5 MW 466.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19ClN4O5/c1-11-4-7-15-13(9-11)23(22(31)25-15)19-18(16-3-2-8-26(16)23)20(29)27(21(19)30)12-5-6-14(24)17(10-12)28(32)33/h4-7,9-10,16,18-19H,2-3,8H2,1H3,(H,25,31)/t16-,18+,19-,23+/m0/s1
InChIKey
PBVSOIVDCRGCAE-QYUDBREXSA-N
Synonyms
1013852-56-6
(3S3aR8aS8bS)2(4chloro3nitrophenyl)5methyl3a6788a8bhexahydro1Hspiro(indole34pyrrolo(34a)pyrrolizine)123(1H2H)trione
(3S3aR8aS8bS)2(4chloro3nitrophenyl)5methyl6788atetrahydro1Hspiro(indoline34pyrrolo(34a)pyrrolizine)123(2H3aH8bH)trione
(3S3aR8aS8bS)2(4chloro3nitrophenyl)5methylspiro(1Hindole343a6788a8bhexahydropyrrolo(34a)pyrrolizine)123trione
1013852566
CC1=CC2=C(C=C1)NC(=O)C23C4C(C5N3CCC5)C(=O)N(C4=O)C6=CC(=C(C=C6)Cl)(N+)(=O)(O)
Cc1ccc2c(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
InChI=1SC23H19ClN4O5c111471513(911)23(22(31)2515)1918(1632826(16)23)20(29)27(21(19)30)125614(24)17(1012)28(32)33h47910161819H238H21H3(H2531)t1618+1923+m0s1
MFCD18248042
ZINC000016000867
ZINC16000867

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Available files

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