Vitas-M small molecule compound

(3S,3a'R,8a'S,8b'S)-5-ethyl-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
STL057332
SMILES CCc1ccc2c(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 C25H24N4O5 MW 460.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N4O5/c1-3-14-9-10-16-15(12-14)25(24(32)26-16)21-20(19-8-5-11-27(19)25)22(30)28(23(21)31)17-6-4-7-18(13(17)2)29(33)34/h4,6-7,9-10,12,19-21H,3,5,8,11H2,1-2H3,(H,26,32)/t19-,20+,21-,25+/m0/s1
InChIKey
GABKCMHSHTWCJJ-UGCAPWQASA-N
Synonyms
1014021-59-0
(3S3aR8aS8bS)5ethyl2(2methyl3nitrophenyl)3a6788a8bhexahydro1Hspiro(indole34pyrrolo(34a)pyrrolizine)123(1H2H)trione
(3S3aR8aS8bS)5ethyl2(2methyl3nitrophenyl)6788atetrahydro1Hspiro(indoline34pyrrolo(34a)pyrrolizine)123(2H3aH8bH)trione
(3S3aR8aS8bS)5ethyl2(2methyl3nitrophenyl)spiro(1Hindole343a6788a8bhexahydropyrrolo(34a)pyrrolizine)123trione
1014021590
CCC1=CC2=C(C=C1)NC(=O)C23C4C(C5N3CCC5)C(=O)N(C4=O)C6=C(C(=CC=C6)(N+)(=O)(O))C
CCc1ccc2c(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=1SC25H24N4O5c13149101615(1214)25(24(32)2616)2120(19851127(19)25)22(30)28(23(21)31)1764718(13(17)2)29(33)34h467910121921H35811H212H3(H2632)t1920+2125+m0s1
MFCD18249803
ZINC000016012474
ZINC16012474

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Available files

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