Vitas-M small molecule compound

(3S,3a'R,8a'S,8b'S)-5-chloro-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
STL040500
SMILES Clc1ccc2c(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-]

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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/c1-11-15(4-2-5-16(11)28(32)33)27-20(29)18-17-6-3-9-26(17)23(19(18)21(27)30)13-10-12(24)7-8-14(13)25-22(23)31/h2,4-5,7-8,10,17-19H,3,6,9H2,1H3,(H,25,31)/t17-,18+,19-,23+/m0/s1
InChIKey
YEGUMIDOSIKMCP-QPXQOZNCSA-N
Synonyms
1013854-63-1
(3S3aR8aS8bS)5chloro2(2methyl3nitrophenyl)3a6788a8bhexahydro1Hspiro(indole34pyrrolo(34a)pyrrolizine)123(1H2H)trione
(3S3aR8aS8bS)5chloro2(2methyl3nitrophenyl)6788atetrahydro1Hspiro(indoline34pyrrolo(34a)pyrrolizine)123(2H3aH8bH)trione
(3S3aR8aS8bS)5chloro2(2methyl3nitrophenyl)spiro(1Hindole343a6788a8bhexahydropyrrolo(34a)pyrrolizine)123trione
1013854631
CC1=C(C=CC=C1(N+)(=O)(O))N2C(=O)C3C4CCCN4C5(C3C2=O)C6=C(C=CC(=C6)Cl)NC5=O
Clc1ccc2c(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)
InChI=1SC23H19ClN4O5c11115(42516(11)28(32)33)2720(29)181763926(17)23(19(18)21(27)30)131012(24)7814(13)2522(23)31h24578101719H369H21H3(H2531)t1718+1923+m0s1
MFCD18248040
ZINC000035840303
ZINC35840303

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Available files

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