Vitas-M small molecule compound

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

Catalog ID
STL056273
SMILES CCOc1ccccc1[C@H]1[C@H](C(=O)c2cccc(c2)[N+](=O)[O-])N2C([C@@]31C(=O)c1c(C3=O)cccc1)C=Cc1c2cccc1

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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 C35H26N2O6 MW 570.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H26N2O6/c1-2-43-28-17-8-6-15-26(28)30-31(32(38)22-11-9-12-23(20-22)37(41)42)36-27-16-7-3-10-21(27)18-19-29(36)35(30)33(39)24-13-4-5-14-25(24)34(35)40/h3-20,29-31H,2H2,1H3/t29?,30-,31+/m0/s1
InChIKey
ASTJLJCZELZDQM-CJZYSFCQSA-N
Synonyms

(1R2R)2(2ethoxyphenyl)1((3nitrophenyl)carbonyl)12dihydro3aHspiro(indene23pyrrolo(12a)quinoline)13dione
(1R2R)2(2ethoxyphenyl)1(3nitrobenzoyl)23adihydro1Hspiro(indene23pyrrolo(12a)quinoline)13dione
(1R2R)2(2ethoxyphenyl)1(3nitrobenzoyl)spiro(23adihydro1Hpyrrolo(12a)quinoline32indene)13dione
CCOC1=CC=CC=C1C2C(N3C(C24C(=O)C5=CC=CC=C5C4=O)C=CC6=CC=CC=C63)C(=O)C7=CC(=CC=C7)(N+)(=O)(O)
CCOc1ccccc1(C@H)1(C@H)(C(=O)c2cccc(c2)(N+)(=O)(O))N2C((C@@)31C(=O)c1c(C3=O)cccc1)C=Cc1c2cccc1
CCOc1ccccc1(C@H)1(C@H)(C(=O)c2cccc(c2)(N+)(=O)(O))N2C(C31C(=O)c1c(C3=O)cccc1)C=Cc1c2cccc1
InChI=1SC35H26N2O6c12432817861526(28)3031(32(38)221191223(2022)37(41)42)362716731021(27)181929(36)35(30)33(39)2413451425(24)34(35)40h3202931H2H21H3t29?3031+m0s1
MFCD18192803
ZINC000102895716
ZINC000102895719

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Available files

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