Vitas-M small molecule compound

4,4'-methanediylbis[6-(2-phenylethyl)-4,5,6,7-tetrahydrotetrazolo[1,5-a][1,3,5]triazine]

Catalog ID
STK203112
SMILES c1ccc(cc1)CCN1CN(CN2CN(CCc3ccccc3)Cn3c2nnn3)c2n(C1)nnn2

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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 C23H28N12 MW 472.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28N12/c1-3-7-20(8-4-1)11-13-30-15-32(22-24-26-28-34(22)17-30)19-33-16-31(18-35-23(33)25-27-29-35)14-12-21-9-5-2-6-10-21/h1-10H,11-19H2
InChIKey
NUOODAVJGOAXPO-UHFFFAOYSA-N
Synonyms
704876-47-1
44methanediylbis(6(2phenylethyl)4567tetrahydrotetrazolo(15a)(135)triazine)
6(2phenylethyl)4((6(2phenylethyl)57dihydrotetrazolo(15a)(135)triazin4yl)methyl)57dihydrotetrazolo(15a)(135)triazine
6PHENETHYL4((6PHENETHYL57DIHYDROTETRAZOLO(15A)(135)TRIAZIN4YL)METHYL)57DIHYDROTETRAZOLO(15A)(135)TRIAZINE
704876471
bis(6phenethyl67dihydrotetrazolo(15a)(135)triazin4(5H)yl)methane
C1N(CN2C(=NN=N2)N1CN3CN(CN4C3=NN=N4)CCC5=CC=CC=C5)CCC6=CC=CC=C6
InChI=1SC23H28N12c13720(841)1113301532(2224262834(22)1730)19331631(183523(33)25272935)14122195261021h110H1119H2
MFCD05839600
ZINC000019873752
ZINC19873752

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Available files

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