Vitas-M small molecule compound

tert-butyl 4-[phenyl(1H-tetrazol-1-yl)acetyl]piperazine-1-carboxylate

Catalog ID
STL246242
SMILES O=C(C(n1cnnn1)c1ccccc1)N1CCN(CC1)C(=O)OC(C)(C)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 C18H24N6O3 MW 372.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H24N6O3/c1-18(2,3)27-17(26)23-11-9-22(10-12-23)16(25)15(24-13-19-20-21-24)14-7-5-4-6-8-14/h4-8,13,15H,9-12H2,1-3H3
InChIKey
ILGIKKKCVIRIEZ-UHFFFAOYSA-N
Synonyms

(S)tertbutyl4(2phenyl2(1Htetrazol1yl)acetyl)piperazine1carboxylate
CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C(C2=CC=CC=C2)N3C=NN=N3
InChI=1SC18H24N6O3c118(23)2717(26)2311922(101223)16(25)15(241319202124)147546814h481315H912H213H3
MFCD24860505
O=C((C@@H)(n1cnnn1)c1ccccc1)N1CCN(CC1)C(=O)OC(C)(C)C
tertbutyl4(2phenyl2(tetrazol1yl)acetyl)piperazine1carboxylate
tertbutyl4(phenyl(1Htetrazol1yl)acetyl)piperazine1carboxylate
ZINC000072402630
ZINC000080330079

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Available files

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