Vitas-M small molecule compound

(3a'S,6a'R)-3'-(1H-indol-3-ylmethyl)-5'-(2-methoxyethyl)-7-methyl-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
STL529574
SMILES COCCN1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2c[nH]c3c2cccc3)C(=O)Nc2c1cccc2C

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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 C26H26N4O4 MW 458.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N4O4/c1-14-6-5-8-17-22(14)28-25(33)26(17)21-20(23(31)30(24(21)32)10-11-34-2)19(29-26)12-15-13-27-18-9-4-3-7-16(15)18/h3-9,13,19-21,27,29H,10-12H2,1-2H3,(H,28,33)/t19?,20-,21+,26?/m1/s1
InChIKey
JBPZBEGLVNPEOI-FTUOTLPMSA-N
Synonyms
956997-39-0
(3~(a)~(R)6~(a)~(S))1(1~(H)indol3ylmethyl)5(2methoxyethyl)7methylspiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)246trione
(3aS6aR)3((1Hindol3yl)methyl)5(2methoxyethyl)7methyl33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
(3aS6aR)3(1Hindol3ylmethyl)5(2methoxyethyl)7methyl3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
16405332
956997390
COCCN1C(=O)(C@H)2(C@@H)(C1=O)C1(NC2Cc2c(nH)c3c2cccc3)C(=O)Nc2c1cccc2C
InChI=1SC26H26N4O4c1146581722(14)2825(33)26(17)2120(23(31)30(24(21)32)1011342)19(2926)1215132718943716(15)18h391319212729H1012H212H3(H2833)t19?2021+26?m1s1
MFCD06770077
ZINC000016033112
ZINC000020757233

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.