Vitas-M small molecule compound

3-benzyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine

Catalog ID
STK038701
SMILES c1ccc(cc1)Cc1nnc2n1CCCCC2

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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 C14H17N3 MW 227.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H17N3/c1-3-7-12(8-4-1)11-14-16-15-13-9-5-2-6-10-17(13)14/h1,3-4,7-8H,2,5-6,9-11H2
InChIKey
DGKKYIGBOVQCRT-UHFFFAOYSA-N
Synonyms
313671-57-7
313671577
3benzyl6789tetrahydro5H(124)triazolo(43a)azepine
c1ccc(cc1)Cc1nnc2n1CCCCC2
C1CCC2=NN=C(N2CC1)CC3=CC=CC=C3
InChI=1SC14H17N3c13712(841)111416151395261017(13)14h13478H256911H2
MFCD00729311
STK038701
ZINC000000494244
ZINC00494244
ZINC494244

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Available files

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