Vitas-M small molecule compound

1-[{1-[1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-yl]-1H-tetrazol-5-yl}(phenyl)methyl]piperidine

Catalog ID
STK523064
SMILES Clc1ccc(cc1)OC(C(C(C)(C)C)n1nnnc1C(c1ccccc1)N1CCCCC1)n1cncn1

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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 C27H33ClN8O MW 521.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33ClN8O/c1-27(2,3)24(26(35-19-29-18-30-35)37-22-14-12-21(28)13-15-22)36-25(31-32-33-36)23(20-10-6-4-7-11-20)34-16-8-5-9-17-34/h4,6-7,10-15,18-19,23-24,26H,5,8-9,16-17H2,1-3H3
InChIKey
FCSMPNCJPCLUFF-UHFFFAOYSA-N
Synonyms

1((1(1(4CHLOROPHENOXY)33DIMETHYL1(124TRIAZOL1YL)BUTAN2YL)TETRAZOL5YL)PHENYLMETHYL)PIPERIDINE
1((1(1(4CHLOROPHENOXY)33DIMETHYL1(1H124TRIAZOL1YL)BUTAN2YL)1HTETRAZOL5YL)(PHENYL)METHYL)PIPERIDINE
CC(C)(C)C(C(N1C=NC=N1)OC2=CC=C(C=C2)Cl)N3C(=NN=N3)C(C4=CC=CC=C4)N5CCCCC5
InChI=1SC27H33ClN8Oc127(23)24(26(351929183035)3722141221(28)131522)3625(31323336)23(20106471120)34168591734h46710151819232426H5891617H213H3
MFCD00824513
ZINC000008442455
ZINC000015135361

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Available files

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