Vitas-M small molecule compound

(1'S,2'S)-2'-(2,4-dimethoxyphenyl)-1'-(2,2-dimethylpropanoyl)-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione

Catalog ID
STK553638
SMILES COc1ccc(c(c1)OC)[C@@H]1[C@H](N2C([C@@]31C(=O)c1c(C3=O)cccc1)C=Cc1c2cccc1)C(=O)C(C)(C)C

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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 C33H31NO5 MW 521.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H31NO5/c1-32(2,3)31(37)28-27(23-16-15-20(38-4)18-25(23)39-5)33(29(35)21-11-7-8-12-22(21)30(33)36)26-17-14-19-10-6-9-13-24(19)34(26)28/h6-18,26-28H,1-5H3/t26?,27-,28+/m1/s1
InChIKey
ZKWHDKDPJUPSIU-OEBVTXOESA-N
Synonyms
1216945-51-5
(1S2S)2(24dimethoxyphenyl)1(22dimethylpropanoyl)12dihydro3aHspiro(indene23pyrrolo(12a)quinoline)13dione
(1S2S)2(24dimethoxyphenyl)1(22dimethylpropanoyl)spiro(23adihydro1Hpyrrolo(12a)quinoline32indene)13dione
(1S2S)2(24dimethoxyphenyl)1pivaloyl23adihydro1Hspiro(indene23pyrrolo(12a)quinoline)13dione
1216945515
CC(C)(C)C(=O)C1C(C2(C3N1C4=CC=CC=C4C=C3)C(=O)C5=CC=CC=C5C2=O)C6=C(C=C(C=C6)OC)OC
COc1ccc(c(c1)OC)(C@@H)1(C@H)(N2C((C@@)31C(=O)c1c(C3=O)cccc1)C=Cc1c2cccc1)C(=O)C(C)(C)C
COc1ccc(c(c1)OC)(C@@H)1(C@H)(N2C(C31C(=O)c1c(C3=O)cccc1)C=Cc1c2cccc1)C(=O)C(C)(C)C
InChI=1SC33H31NO5c132(23)31(37)2827(23161520(384)1825(23)395)33(29(35)2111781222(21)30(33)36)2617141910691324(19)34(26)28h6182628H15H3t26?2728+m1s1
ZINC000016039060
ZINC000033769592

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Available files

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