Vitas-M small molecule compound

tert-butyl 4-{[5-fluoro-2-(1H-tetrazol-1-yl)phenyl]carbonyl}piperazine-1-carboxylate

Catalog ID
STK631811
SMILES Fc1ccc(c(c1)C(=O)N1CCN(CC1)C(=O)OC(C)(C)C)n1cnnn1

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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 C17H21FN6O3 MW 376.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21FN6O3/c1-17(2,3)27-16(26)23-8-6-22(7-9-23)15(25)13-10-12(18)4-5-14(13)24-11-19-20-21-24/h4-5,10-11H,6-9H2,1-3H3
InChIKey
IZNCSAOIIZSRNV-UHFFFAOYSA-N
Synonyms
1010892-40-6
1010892406
CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=C(C=CC(=C2)F)N3C=NN=N3
InChI=1SC17H21FN6O3c117(23)2716(26)238622(7923)15(25)131012(18)4514(13)241119202124h451011H69H213H3
MFCD12203679
tertbutyl4((5fluoro2(1Htetrazol1yl)phenyl)carbonyl)piperazine1carboxylate
tertbutyl4(5fluoro2(1Htetrazol1yl)benzoyl)piperazine1carboxylate
tertbutyl4(5fluoro2(tetrazol1yl)benzoyl)piperazine1carboxylate
ZINC000012407717
ZINC12407717

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Available files

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