Vitas-M small molecule compound

(3S,3'R,3a'R,6a'S)-3'-[(4-chlorophenyl)(hydroxy)methyl]-5'-(2-methoxyethyl)-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
STK589395
SMILES COCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@]1(N[C@H]2[C@@H](c2ccc(cc2)Cl)O)C(=O)Nc2c1cccc2

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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 C23H22ClN3O5 MW 455.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22ClN3O5/c1-32-11-10-27-20(29)16-17(21(27)30)23(14-4-2-3-5-15(14)25-22(23)31)26-18(16)19(28)12-6-8-13(24)9-7-12/h2-9,16-19,26,28H,10-11H2,1H3,(H,25,31)/t16-,17-,18-,19-,23-/m1/s1
InChIKey
KEECINBCUAKNDE-RRFSAMJTSA-N
Synonyms
1014041-89-4
(1R3S3aS6aR)1((R)(4chlorophenyl)hydroxymethyl)5(2methoxyethyl)spiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)246trione
(1S3R3aR6aS)3((R)(4chlorophenyl)(hydroxy)methyl)5(2methoxyethyl)33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
(3S3R3aR6aS)3((4chlorophenyl)(hydroxy)methyl)5(2methoxyethyl)3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
1014041894
COCCN1C(=O)(C@@H)2(C@H)(C1=O)(C@@)1(N(C@H)2(C@@H)(c2ccc(cc2)Cl)O)C(=O)Nc2c1cccc2
COCCN1C(=O)C2C(C1=O)C3(C4=CC=CC=C4NC3=O)NC2C(C5=CC=C(C=C5)Cl)O
InChI=1SC23H22ClN3O5c13211102720(29)1617(21(27)30)23(14423515(14)2522(23)31)2618(16)19(28)126813(24)9712h2916192628H1011H21H3(H2531)t1617181923m1s1
MFCD08284707
ZINC000020572469
ZINC20572469

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Available files

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