Vitas-M small molecule compound

(3'E)-8a-hydroxy-3'-(4-nitrobenzylidene)-2-(4-nitrophenyl)hexahydro-2'H,4H-spiro[chromene-3,1'-cyclopentan]-2'-one

Catalog ID
STL334990
SMILES [O-][N+](=O)c1ccc(cc1)/C=C/1\CCC2(C1=O)CC1CCCCC1(OC2c1ccc(cc1)[N+](=O)[O-])O

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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 C26H26N2O7 MW 478.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N2O7/c29-23-19(15-17-4-8-21(9-5-17)27(31)32)12-14-25(23)16-20-3-1-2-13-26(20,30)35-24(25)18-6-10-22(11-7-18)28(33)34/h4-11,15,20,24,30H,1-3,12-14,16H2/b19-15+
InChIKey
RQSSZUNRONENJF-XDJHFCHBSA-N
Synonyms
154719-54-7
(3E)8AHYDROXY3(4NITROBENZYLIDENE)2(4NITROPHENYL)HEXAHYDRO2H4HSPIRO(CHROMENE31CYCLOPENTAN)2ONE
(5E)8ahydroxy2(4nitrophenyl)5((4nitrophenyl)methylidene)spiro(44a5678hexahydro2Hchromene32cyclopentane)1one
(E)8ahydroxy3(4nitrobenzylidene)2(4nitrophenyl)octahydrospiro(chromene31cyclopentan)2one
(O)(N+)(=O)c1ccc(cc1)C=C1CCC2(C1=O)CC1CCCCC1(OC2c1ccc(cc1)(N+)(=O)(O))O
154719547
C1CCC2(C(C1)CC3(CCC(=CC4=CC=C(C=C4)(N+)(=O)(O))C3=O)C(O2)C5=CC=C(C=C5)(N+)(=O)(O))O
InChI=1SC26H26N2O7c292319(15174821(9517)27(31)32)121425(23)16203121326(2030)3524(25)1861022(11718)28(33)34h41115202430H13121416H2b1915+

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Available files

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