Vitas-M small molecule compound
(3a'S,6a'R)-5'-(1,3-benzodioxol-5-ylmethyl)-5-ethyl-3'-(1-hydroxyethyl)-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
STL533068
SMILES CCc1ccc2c(c1)C1(NC([C@@H]3[C@H]1C(=O)N(C3=O)Cc1ccc3c(c1)OCO3)C(O)C)C(=O)N2
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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 C25H25N3O6 MW 463.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O6/c1-3-13-4-6-16-15(8-13)25(24(32)26-16)20-19(21(27-25)12(2)29)22(30)28(23(20)31)10-14-5-7-17-18(9-14)34-11-33-17/h4-9,12,19-21,27,29H,3,10-11H2,1-2H3,(H,26,32)/t12?,19-,20-,21?,25?/m0/s1InChIKey
JJMPDQAERXSDPT-HWVJPLDGSA-NSynonyms
1214626-19-3(3~(a)~(R)6~(a)~(S))5(13benzodioxol5ylmethyl)5ethyl1(1hydroxyethyl)spiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)246trione
(3aS6aR)5(13benzodioxol5ylmethyl)5ethyl3(1hydroxyethyl)3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
(3aS6aR)5(benzo(d)(13)dioxol5ylmethyl)5ethyl3(1hydroxyethyl)33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
1214626193
16403589
CCc1ccc2c(c1)C1(NC((C@@H)3(C@H)1C(=O)N(C3=O)Cc1ccc3c(c1)OCO3)C(O)C)C(=O)N2
InChI=1SC25H25N3O6c1313461615(813)25(24(32)2616)2019(21(2725)12(2)29)22(30)28(23(20)31)1014571718(914)34113317h491219212729H31011H212H3(H2632)t12?192021?25?m0s1
MFCD06764706
ZINC000015959167
ZINC000105379209
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.