Vitas-M small molecule compound

1-methoxy-4-[(4-pentylphenyl)ethynyl]benzene

Catalog ID
STK028130
SMILES CCCCCc1ccc(cc1)C#Cc1ccc(cc1)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 C20H22O MW 278.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22O/c1-3-4-5-6-17-7-9-18(10-8-17)11-12-19-13-15-20(21-2)16-14-19/h7-10,13-16H,3-6H2,1-2H3
InChIKey
ULPSMBQBIIZGAI-UHFFFAOYSA-N
Synonyms
39969-28-3
1((4METHOXYPHENYL)ETHYNYL)4NPENTYLBENZENE
1(2(4METHOXYPHENYL)ETHYNYL)4PENTYLBENZENE
1(4METHOXYPHENYL)2(4NPENTYLPHENYL)ACETYLENE
1(4METHOXYPHENYL)ETHYNYL4NPENTYLBENZENE
1METHOXY4((4PENTYLPHENYL)ETHYNYL)BENZENE
1METHOXY4(2(4PENTYLPHENYL)ETHYNYL)BENZENE
1METHOXY4(4PENTYLPHENYLETHYNYL)BENZENE
39969283
4METHOXY1(2(4PENTYLPHENYL)ETHYNYL)BENZENE
BENZENE1METHOXY4((4PENTYLPHENYL)ETHYNYL)
CCCCCC1=CC=C(C=C1)C#CC2=CC=C(C=C2)OC
CCCCCc1ccc(cc1)C#Cc1ccc(cc1)OC
InChI=1SC20H22Oc13456177918(10817)111219131520(212)161419h7101316H36H212H3
METHYL4((4PENTYLPHENYL)ETHYNYL)PHENYLETHER
MFCD00187208
STK028130
ZINC000002556312
ZINC02556312
ZINC2556312

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.