Vitas-M small molecule compound
(3S,3'S,3a'S,6a'R)-3'-methyl-5'-(2-methyl-5-nitrophenyl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione
Catalog ID
STL528512
SMILES C[C@@H]1N[C@]2([C@H]3[C@@H]1C(=O)N(C3=O)c1cc(ccc1C)[N+](=O)[O-])C(=O)Nc1c2cccc1
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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 C21H18N4O5 MW 406.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O5/c1-10-7-8-12(25(29)30)9-15(10)24-18(26)16-11(2)23-21(17(16)19(24)27)13-5-3-4-6-14(13)22-20(21)28/h3-9,11,16-17,23H,1-2H3,(H,22,28)/t11-,16+,17-,21+/m0/s1InChIKey
SLKXOQKYDNXEGO-USJXCCPESA-NSynonyms
956238-29-2(1~(S)3~(S)3~(a)~(R)6~(a)~(S))1methyl5(2methyl5nitrophenyl)spiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)246trione
(1S3S3aS6aR)3methyl5(2methyl5nitrophenyl)33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
(3S3S3aS6aR)3methyl5(2methyl5nitrophenyl)3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
11874930
956238292
C(C@@H)1N(C@)2((C@H)3(C@@H)1C(=O)N(C3=O)c1cc(ccc1C)(N+)(=O)(O))C(=O)Nc1c2cccc1
InChI=1SC21H18N4O5c1107812(25(29)30)915(10)2418(26)1611(2)2321(17(16)19(24)27)13534614(13)2220(21)28h3911161723H12H3(H2228)t1116+1721+m0s1
MFCD03850960
ZINC000016042259
ZINC16042259
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.