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}(2,4-dichlorophenyl)methyl]piperidine

Catalog ID
STK523057
SMILES Clc1ccc(cc1)OC(C(C(C)(C)C)n1nnnc1C(c1ccc(cc1Cl)Cl)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 C27H31Cl3N8O MW 589.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31Cl3N8O/c1-27(2,3)24(26(37-17-31-16-32-37)39-20-10-7-18(28)8-11-20)38-25(33-34-35-38)23(36-13-5-4-6-14-36)21-12-9-19(29)15-22(21)30/h7-12,15-17,23-24,26H,4-6,13-14H2,1-3H3
InChIKey
MTZYTVPWNKJISO-UHFFFAOYSA-N
Synonyms

1((1(1(4CHLOROPHENOXY)33DIMETHYL1(124TRIAZOL1YL)BUTAN2YL)TETRAZOL5YL)(24DICHLOROPHENYL)METHYL)PIPERIDINE
1((1(1(4chlorophenoxy)33dimethyl1(1H124triazol1yl)butan2yl)1Htetrazol5yl)(24dichlorophenyl)methyl)piperidine
CC(C)(C)C(C(N1C=NC=N1)OC2=CC=C(C=C2)Cl)N3C(=NN=N3)C(C4=C(C=C(C=C4)Cl)Cl)N5CCCCC5
InChI=1SC27H31Cl3N8Oc127(23)24(26(371731163237)392010718(28)81120)3825(33343538)23(36135461436)2112919(29)1522(21)30h7121517232426H461314H213H3
MFCD00746907
ZINC000098001511
ZINC000229959048

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Available files

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