Vitas-M small molecule compound

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

Catalog ID
STK545299
SMILES COc1ccc(c(c1)[C@H]1[C@H](C(=O)c2ccccc2)N2C([C@@]31C(=O)c1c(C3=O)cccc1)C=Cc1c2cccc1)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 C35H27NO5 MW 541.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H27NO5/c1-40-23-17-18-28(41-2)26(20-23)30-31(32(37)22-11-4-3-5-12-22)36-27-15-9-6-10-21(27)16-19-29(36)35(30)33(38)24-13-7-8-14-25(24)34(35)39/h3-20,29-31H,1-2H3/t29?,30-,31+/m0/s1
InChIKey
PKPOWZBTJCUBDO-CJZYSFCQSA-N
Synonyms
1216944-52-3
(1R2R)1benzoyl2(25dimethoxyphenyl)23adihydro1Hspiro(indene23pyrrolo(12a)quinoline)13dione
(1R2R)1benzoyl2(25dimethoxyphenyl)spiro(23adihydro1Hpyrrolo(12a)quinoline32indene)13dione
(1R2R)2(25dimethoxyphenyl)1(phenylcarbonyl)12dihydro3aHspiro(indene23pyrrolo(12a)quinoline)13dione
1216944523
COC1=CC(=C(C=C1)OC)C2C(N3C(C24C(=O)C5=CC=CC=C5C4=O)C=CC6=CC=CC=C63)C(=O)C7=CC=CC=C7
COc1ccc(c(c1)(C@H)1(C@H)(C(=O)c2ccccc2)N2C((C@@)31C(=O)c1c(C3=O)cccc1)C=Cc1c2cccc1)OC
COc1ccc(c(c1)(C@H)1(C@H)(C(=O)c2ccccc2)N2C(C31C(=O)c1c(C3=O)cccc1)C=Cc1c2cccc1)OC
InChI=1SC35H27NO5c14023171828(412)26(2023)3031(32(37)22114351222)362715961021(27)161929(36)35(30)33(38)2413781425(24)34(35)39h3202931H12H3t29?3031+m0s1
ZINC000100912771
ZINC000100912774

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Available files

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