Vitas-M small molecule compound

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

Catalog ID
STK095817
SMILES Clc1cccc(c1)C(c1nnnn1C(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl)Nc1ccc(cc1)C

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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 C29H30Cl2N8O MW 577.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30Cl2N8O/c1-19-8-12-23(13-9-19)34-25(20-6-5-7-22(31)16-20)27-35-36-37-39(27)26(29(2,3)4)28(38-18-32-17-33-38)40-24-14-10-21(30)11-15-24/h5-18,25-26,28,34H,1-4H3
InChIKey
WFCQHNMAYPPNFZ-UHFFFAOYSA-N
Synonyms

CC1=CC=C(C=C1)NC(C2=CC(=CC=C2)Cl)C3=NN=NN3C(C(N4C=NC=N4)OC5=CC=C(C=C5)Cl)C(C)(C)C
Clc1cccc(c1)C(c1nnnn1C(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl)Nc1ccc(cc1)C
InChI=1SC29H30Cl2N8Oc11981223(13919)3425(2065722(31)1620)2735363739(27)26(29(23)4)28(381832173338)4024141021(30)111524h51825262834H14H3
MFCD00745373
N((1(1(4CHLOROPHENOXY)33DIMETHYL1(124TRIAZOL1YL)BUTAN2YL)TETRAZOL5YL)(3CHLOROPHENYL)METHYL)4METHYLANILINE
N((1(1(4CHLOROPHENOXY)33DIMETHYL1(1H124TRIAZOL1YL)BUTAN2YL)1HTETRAZOL5YL)(3CHLOROPHENYL)METHYL)4METHYLANILINE
STK095817
ZINC000002176672
ZINC000098001419

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Available files

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