Vitas-M small molecule compound

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

Catalog ID
STK552158
SMILES [O-][N+](=O)c1ccc(cc1)[C@H]1[C@@H](N2[C@H]([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 C31H26N2O5 MW 506.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H26N2O5/c1-30(2,3)29(36)26-25(19-12-15-20(16-13-19)33(37)38)31(27(34)21-9-5-6-10-22(21)28(31)35)24-17-14-18-8-4-7-11-23(18)32(24)26/h4-17,24-26H,1-3H3/t24-,25-,26+/m0/s1
InChIKey
XVZXTQADKLGPSK-KKUQBAQOSA-N
Synonyms
1216945-86-6
(1R2R3aS)1(22dimethylpropanoyl)2(4nitrophenyl)12dihydro3aHspiro(indene23pyrrolo(12a)quinoline)13dione
(1R2R3AS)1(22DIMETHYLPROPANOYL)2(4NITROPHENYL)SPIRO(23ADIHYDRO1HPYRROLO(12A)QUINOLINE32INDENE)13DIONE
(1R2R3aS)2(4nitrophenyl)1pivaloyl23adihydro1Hspiro(indene23pyrrolo(12a)quinoline)13dione
(O)(N+)(=O)c1ccc(cc1)(C@H)1(C@@H)(N2(C@H)((C@@)31C(=O)c1c(C3=O)cccc1)C=Cc1c2cccc1)C(=O)C(C)(C)C
(O)(N+)(=O)c1ccc(cc1)(C@H)1(C@@H)(N2(C@H)(C31C(=O)c1c(C3=O)cccc1)C=Cc1c2cccc1)C(=O)C(C)(C)C
1216945866
CC(C)(C)C(=O)C1C(C2(C3N1C4=CC=CC=C4C=C3)C(=O)C5=CC=CC=C5C2=O)C6=CC=C(C=C6)(N+)(=O)(O)
InChI=1SC31H26N2O5c130(23)29(36)2625(19121520(161319)33(37)38)31(27(34)219561022(21)28(31)35)241714188471123(18)32(24)26h4172426H13H3t242526+m0s1
ZINC000016038407
ZINC16038407

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Available files

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