Vitas-M small molecule compound

(1'R,2'R)-2'-(2,5-dimethoxyphenyl)-1'-(2,2-dimethylpropanoyl)-7'-methyl-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione

Catalog ID
STK582801
SMILES COc1ccc(c(c1)[C@H]1[C@@H](N2C([C@@]31C(=O)c1c(C3=O)cccc1)C=Cc1c2ccc(c1)C)C(=O)C(C)(C)C)OC

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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 C34H33NO5 MW 535.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H33NO5/c1-19-11-14-25-20(17-19)12-16-27-34(30(36)22-9-7-8-10-23(22)31(34)37)28(29(35(25)27)32(38)33(2,3)4)24-18-21(39-5)13-15-26(24)40-6/h7-18,27-29H,1-6H3/t27?,28-,29+/m0/s1
InChIKey
TYKVDZJDQOANSD-CVWZLOPKSA-N
Synonyms
1216944-90-9
(1R2R)2(25dimethoxyphenyl)1(22dimethylpropanoyl)7methyl12dihydro3aHspiro(indene23pyrrolo(12a)quinoline)13dione
(1R2R)2(25dimethoxyphenyl)1(22dimethylpropanoyl)7methylspiro(23adihydro1Hpyrrolo(12a)quinoline32indene)13dione
(1R2R)2(25dimethoxyphenyl)7methyl1pivaloyl23adihydro1Hspiro(indene23pyrrolo(12a)quinoline)13dione
1216944909
CC1=CC2=C(C=C1)N3C(C=C2)C4(C(C3C(=O)C(C)(C)C)C5=C(C=CC(=C5)OC)OC)C(=O)C6=CC=CC=C6C4=O
COc1ccc(c(c1)(C@H)1(C@@H)(N2C((C@@)31C(=O)c1c(C3=O)cccc1)C=Cc1c2ccc(c1)C)C(=O)C(C)(C)C)OC
COc1ccc(c(c1)(C@H)1(C@@H)(N2C(C31C(=O)c1c(C3=O)cccc1)C=Cc1c2ccc(c1)C)C(=O)C(C)(C)C)OC
InChI=1SC34H33NO5c11911142520(1719)12162734(30(36)229781023(22)31(34)37)28(29(35(25)27)32(38)33(23)4)241821(395)131526(24)406h7182729H16H3t27?2829+m0s1
ZINC000101287593
ZINC000101287602

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Available files

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