Vitas-M small molecule compound

N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-1-(1H-tetrazol-1-yl)cyclohexanecarboxamide

Catalog ID
STL422286
SMILES CC(CC(c1nc2c([nH]1)cccc2)NC(=O)C1(CCCCC1)n1cnnn1)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 C20H27N7O MW 381.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27N7O/c1-14(2)12-17(18-22-15-8-4-5-9-16(15)23-18)24-19(28)20(10-6-3-7-11-20)27-13-21-25-26-27/h4-5,8-9,13-14,17H,3,6-7,10-12H2,1-2H3,(H,22,23)(H,24,28)
InChIKey
AQTLZCGXUNOEPT-UHFFFAOYSA-N
Synonyms

(S)N(1(1Hbenzo(d)imidazol2yl)3methylbutyl)1(1Htetrazol1yl)cyclohexanecarboxamide
CC(C(C@@H)(c1nc2c((nH)1)cccc2)NC(=O)C1(CCCCC1)n1cnnn1)C
CC(C)CC(C1=NC2=CC=CC=C2N1)NC(=O)C3(CCCCC3)N4C=NN=N4
CC(CC(c1nc2c((nH)1)cccc2)NC(=O)C1(CCCCC1)n1cnnn1)C
InChI=1SC20H27N7Oc114(2)1217(182215845916(15)2318)2419(28)20(106371120)271321252627h4589131417H3671012H212H3(H2223)(H2428)
MFCD30708064
N(1(1Hbenzimidazol2yl)3methylbutyl)1(1Htetrazol1yl)cyclohexanecarboxamide
N(1(1Hbenzimidazol2yl)3methylbutyl)1(tetrazol1yl)cyclohexane1carboxamide
ZINC000218338185
ZINC000252478636

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Available files

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