Vitas-M small molecule compound

2,6-di-tert-butyl-4-[(1Z)-3-(2,4-dichlorophenyl)-3-hydroxy-2-(1H-1,2,4-triazol-1-yl)prop-1-en-1-yl]phenol

Catalog ID
STL340013
SMILES Clc1ccc(c(c1)Cl)C(/C(=C/c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)/n1cncn1)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 C25H29Cl2N3O2 MW 474.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29Cl2N3O2/c1-24(2,3)18-9-15(10-19(23(18)32)25(4,5)6)11-21(30-14-28-13-29-30)22(31)17-8-7-16(26)12-20(17)27/h7-14,22,31-32H,1-6H3/b21-11-
InChIKey
RXHBIJQPYMSLDB-NHDPSOOVSA-N
Synonyms
167109-80-0
(Z)26ditertbutyl4(3(24dichlorophenyl)3hydroxy2(1H124triazol1yl)prop1en1yl)phenol
167109800
26DITERTBUTYL4((1Z)3(24DICHLOROPHENYL)3HYDROXY2(1H124TRIAZOL1YL)PROP1EN1YL)PHENOL
26DITERTBUTYL4((Z)3(24DICHLOROPHENYL)3HYDROXY2(124TRIAZOL1YL)PROP1ENYL)PHENOL
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C(C(C2=C(C=C(C=C2)Cl)Cl)O)N3C=NC=N3
Clc1ccc(c(c1)Cl)C(C(=Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)n1cncn1)O
InChI=1SC25H29Cl2N3O2c124(23)18915(1019(23(18)32)25(45)6)1121(301428132930)22(31)178716(26)1220(17)27h714223132H16H3b2111
MFCD00633098
ZINC000008732587
ZINC000009458966

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Available files

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