Vitas-M small molecule compound

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

Catalog ID
STK203111
SMILES c1ccc(cc1)CN1CN(CN2CN(Cc3ccccc3)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 C21H24N12 MW 444.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N12/c1-3-7-18(8-4-1)11-28-13-30(20-22-24-26-32(20)15-28)17-31-14-29(12-19-9-5-2-6-10-19)16-33-21(31)23-25-27-33/h1-10H,11-17H2
InChIKey
JGZOUQPBQIQNAE-UHFFFAOYSA-N
Synonyms

44methanediylbis(6benzyl4567tetrahydrotetrazolo(15a)(135)triazine)
6BENZYL4((6BENZYL57DIHYDROTETRAZOLO(15A)(135)TRIAZIN4YL)METHYL)57DIHYDROTETRAZOLO(15A)(135)TRIAZINE
C1N(CN2C(=NN=N2)N1CN3CN(CN4C3=NN=N4)CC5=CC=CC=C5)CC6=CC=CC=C6
InChI=1SC21H24N12c13718(841)11281330(2022242632(20)1528)17311429(121995261019)163321(31)23252733h110H1117H2
MFCD05839599
ZINC000019873750
ZINC19873750

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Available files

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