Vitas-M small molecule compound

(2E)-2-(1H-benzimidazol-2-yl)-3-{3-[2-(4-tert-butylphenoxy)ethoxy]phenyl}prop-2-enenitrile

Catalog ID
STK392787
SMILES N#C/C(=C\c1cccc(c1)OCCOc1ccc(cc1)C(C)(C)C)/c1nc2c([nH]1)cccc2

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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 C28H27N3O2 MW 437.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N3O2/c1-28(2,3)22-11-13-23(14-12-22)32-15-16-33-24-8-6-7-20(18-24)17-21(19-29)27-30-25-9-4-5-10-26(25)31-27/h4-14,17-18H,15-16H2,1-3H3,(H,30,31)/b21-17+
InChIKey
LRABVARHKARERR-HEHNFIMWSA-N
Synonyms

(2E)2(1Hbenzimidazol2yl)3(3(2(4tertbutylphenoxy)ethoxy)phenyl)prop2enenitrile
(2E)2BENZIMIDAZOL2YL3(3(2(4(TERTBUTYL)PHENOXY)ETHOXY)PHENYL)PROP2ENENITRILE
(E)2(1HBENZIMIDAZOL2YL)3(3(2(4TERTBUTYLPHENOXY)ETHOXY)PHENYL)PROP2ENENITRILE
CC(C)(C)C1=CC=C(C=C1)OCCOC2=CC=CC(=C2)C=C(C#N)C3=NC4=CC=CC=C4N3
InChI=1SC28H27N3O2c128(23)22111323(141222)321516332486720(1824)1721(1929)2730259451026(25)3127h4141718H1516H213H3(H3031)b2117+
MFCD02067589
N#CC(=Cc1cccc(c1)OCCOc1ccc(cc1)C(C)(C)C)c1nc2c((nH)1)cccc2
ZINC000004112916
ZINC04112916
ZINC4112916

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Available files

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