Vitas-M small molecule compound

(1'R,2'R)-2'-(2,5-dimethoxyphenyl)-1'-[(4-nitrophenyl)carbonyl]-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione

Catalog ID
STL056122
SMILES COc1ccc(c(c1)[C@H]1[C@H](C(=O)c2ccc(cc2)[N+](=O)[O-])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 C35H26N2O7 MW 586.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H26N2O7/c1-43-23-16-17-28(44-2)26(19-23)30-31(32(38)21-11-14-22(15-12-21)37(41)42)36-27-10-6-3-7-20(27)13-18-29(36)35(30)33(39)24-8-4-5-9-25(24)34(35)40/h3-19,29-31H,1-2H3/t29?,30-,31+/m0/s1
InChIKey
JKWDMNJDUULXKJ-CJZYSFCQSA-N
Synonyms
1246036-47-4
(1R2R)2(25dimethoxyphenyl)1((4nitrophenyl)carbonyl)12dihydro3aHspiro(indene23pyrrolo(12a)quinoline)13dione
(1R2R)2(25dimethoxyphenyl)1(4nitrobenzoyl)23adihydro1Hspiro(indene23pyrrolo(12a)quinoline)13dione
(1R2R)2(25dimethoxyphenyl)1(4nitrobenzoyl)spiro(23adihydro1Hpyrrolo(12a)quinoline32indene)13dione
1246036474
COC1=CC(=C(C=C1)OC)C2C(N3C(C24C(=O)C5=CC=CC=C5C4=O)C=CC6=CC=CC=C63)C(=O)C7=CC=C(C=C7)(N+)(=O)(O)
COc1ccc(c(c1)(C@H)1(C@H)(C(=O)c2ccc(cc2)(N+)(=O)(O))N2C((C@@)31C(=O)c1c(C3=O)cccc1)C=Cc1c2cccc1)OC
COc1ccc(c(c1)(C@H)1(C@H)(C(=O)c2ccc(cc2)(N+)(=O)(O))N2C(C31C(=O)c1c(C3=O)cccc1)C=Cc1c2cccc1)OC
InChI=1SC35H26N2O7c14323161728(442)26(1923)3031(32(38)21111422(151221)37(41)42)36271063720(27)131829(36)35(30)33(39)24845925(24)34(35)40h3192931H12H3t29?3031+m0s1
MFCD18192800
ZINC000101671887
ZINC000101671892

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Available files

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