Vitas-M small molecule compound

(2E)-3-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl}-1-(tricyclo[3.3.1.1~3,7~]dec-1-yl)prop-2-en-1-one

Catalog ID
STK723154
SMILES COc1ccc(cc1COc1ccc(c(c1)C)[N+](=O)[O-])/C=C/C(=O)C12CC3CC(C2)CC(C1)C3

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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 C28H31NO5 MW 461.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31NO5/c1-18-9-24(5-6-25(18)29(31)32)34-17-23-13-19(3-7-26(23)33-2)4-8-27(30)28-14-20-10-21(15-28)12-22(11-20)16-28/h3-9,13,20-22H,10-12,14-17H2,1-2H3/b8-4+
InChIKey
WFBCYRFEXMSAHZ-XBXARRHUSA-N
Synonyms
371140-06-6
(2E)3(4methoxy3((3methyl4nitrophenoxy)methyl)phenyl)1(tricyclo(3311~37~)dec1yl)prop2en1one
(E)1((3r5r7r)adamantan1yl)3(4methoxy3((3methyl4nitrophenoxy)methyl)phenyl)prop2en1one
(E)1(1ADAMANTYL)3(4METHOXY3((3METHYL4NITROPHENOXY)METHYL)PHENYL)PROP2EN1ONE
371140066
CC1=C(C=CC(=C1)OCC2=C(C=CC(=C2)C=CC(=O)C34CC5CC(C3)CC(C5)C4)OC)(N+)(=O)(O)
COc1ccc(cc1COc1ccc(c(c1)C)(N+)(=O)(O))C=CC(=O)C12CC3CC(C2)CC(C1)C3
InChI=1SC28H31NO5c118924(5625(18)29(31)32)3417231319(3726(23)332)4827(30)2814201021(1528)1222(1120)1628h39132022H10121417H212H3b84+
MFCD03009153
ZINC000009007500
ZINC09007500
ZINC9007500

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Available files

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