Vitas-M small molecule compound

(3S,3a'R,8a'S,8b'S)-5-ethyl-2'-(5-methoxy-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
STL528708
SMILES CCc1ccc2c(c1)[C@@]1(C(=O)N2)N2CCC[C@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1cc(OC)c(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 C26H26N4O6 MW 490.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N4O6/c1-4-14-7-8-16-15(11-14)26(25(33)27-16)22-21(17-6-5-9-28(17)26)23(31)29(24(22)32)18-12-20(36-3)19(30(34)35)10-13(18)2/h7-8,10-12,17,21-22H,4-6,9H2,1-3H3,(H,27,33)/t17-,21+,22-,26+/m0/s1
InChIKey
JXJJMGSQELOSHD-OFCWLIIESA-N
Synonyms
956983-89-4
(3~(S)3~(a)~(R)8~(a)~(S)8~(b)~(S))5ethyl2(5methoxy2methyl4nitrophenyl)spiro(1~(H)indole343~(a)6788~(a)8~(b)hexahydropyrrolo(34a)pyrrolizine)123trione
(3S3aR8aS8bS)5ethyl2(5methoxy2methyl4nitrophenyl)3a6788a8bhexahydro1Hspiro(indole34pyrrolo(34a)pyrrolizine)123(1H2H)trione
(3S3aR8aS8bS)5ethyl2(5methoxy2methyl4nitrophenyl)6788atetrahydro1Hspiro(indoline34pyrrolo(34a)pyrrolizine)123(2H3aH8bH)trione
16404904
956983894
CCc1ccc2c(c1)(C@@)1(C(=O)N2)N2CCC(C@H)2(C@@H)2(C@H)1C(=O)N(C2=O)c1cc(OC)c(cc1C)(N+)(=O)(O)
InChI=1SC26H26N4O6c1414781615(1114)26(25(33)2716)2221(1765928(17)26)23(31)29(24(22)32)181220(363)19(30(34)35)1013(18)2h781012172122H469H213H3(H2733)t1721+2226+m0s1
MFCD06768415
ZINC000015969384
ZINC15969384

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Available files

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