Vitas-M small molecule compound

(3S,3a'R,8a'S,8b'S)-5-ethyl-2'-(2-methyl-4-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
STK622339
SMILES CCc1ccc2c(c1)[C@@]1(C(=O)N2)N2CCC[C@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1C)[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/c1-3-14-6-8-17-16(12-14)25(24(32)26-17)21-20(19-5-4-10-27(19)25)22(30)28(23(21)31)18-9-7-15(29(33)34)11-13(18)2/h6-9,11-12,19-21H,3-5,10H2,1-2H3,(H,26,32)/t19-,20+,21-,25+/m0/s1
InChIKey
ZFVZIBJAYAXLND-UGCAPWQASA-N
Synonyms
1013870-84-2
(3S3aR8aS8bS)5ethyl2(2methyl4nitrophenyl)3a6788a8bhexahydro1Hspiro(indole34pyrrolo(34a)pyrrolizine)123(1H2H)trione
(3S3aR8aS8bS)5ethyl2(2methyl4nitrophenyl)6788atetrahydro1Hspiro(indoline34pyrrolo(34a)pyrrolizine)123(2H3aH8bH)trione
(3S3aR8aS8bS)5ethyl2(2methyl4nitrophenyl)spiro(1Hindole343a6788a8bhexahydropyrrolo(34a)pyrrolizine)123trione
1013870842
CCC1=CC2=C(C=C1)NC(=O)C23C4C(C5N3CCC5)C(=O)N(C4=O)C6=C(C=C(C=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)c1ccc(cc1C)(N+)(=O)(O)
InChI=1SC25H24N4O5c1314681716(1214)25(24(32)2617)2120(19541027(19)25)22(30)28(23(21)31)189715(29(33)34)1113(18)2h6911121921H3510H212H3(H2632)t1920+2125+m0s1
MFCD18246413
ZINC000016009877
ZINC16009877

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Available files

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