Vitas-M small molecule compound

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

Catalog ID
STK552710
SMILES COc1ccc(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 C32H29NO4 MW 491.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H29NO4/c1-31(2,3)30(36)27-26(20-13-16-21(37-4)17-14-20)32(28(34)22-10-6-7-11-23(22)29(32)35)25-18-15-19-9-5-8-12-24(19)33(25)27/h5-18,25-27H,1-4H3/t25-,26-,27+/m0/s1
InChIKey
OPHHBYXBFLPOJE-GMQQYTKMSA-N
Synonyms
1216945-22-0
(1R2R3aS)1(22dimethylpropanoyl)2(4methoxyphenyl)12dihydro3aHspiro(indene23pyrrolo(12a)quinoline)13dione
(1R2R3AS)1(22DIMETHYLPROPANOYL)2(4METHOXYPHENYL)SPIRO(23ADIHYDRO1HPYRROLO(12A)QUINOLINE32INDENE)13DIONE
(1R2R3aS)2(4methoxyphenyl)1pivaloyl23adihydro1Hspiro(indene23pyrrolo(12a)quinoline)13dione
1216945220
CC(C)(C)C(=O)C1C(C2(C3N1C4=CC=CC=C4C=C3)C(=O)C5=CC=CC=C5C2=O)C6=CC=C(C=C6)OC
COc1ccc(cc1)(C@H)1(C@@H)(N2(C@H)((C@@)31C(=O)c1c(C3=O)cccc1)C=Cc1c2cccc1)C(=O)C(C)(C)C
COc1ccc(cc1)(C@H)1(C@@H)(N2(C@H)(C31C(=O)c1c(C3=O)cccc1)C=Cc1c2cccc1)C(=O)C(C)(C)C
InChI=1SC32H29NO4c131(23)30(36)2726(20131621(374)171420)32(28(34)2210671123(22)29(32)35)251815199581224(19)33(25)27h5182527H14H3t252627+m0s1
ZINC000009076541
ZINC09076541
ZINC9076541

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Available files

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