Vitas-M small molecule compound

1-phenyl-1,3a,4,4a,5,7a,8,8a-octahydro-4,8-methanoindeno[5,6-d][1,2,3]triazole

Catalog ID
STK761837
SMILES C1=CC2C(C1)C1CC2C2C1N=NN2c1ccccc1

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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 C16H17N3 MW 251.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17N3/c1-2-5-10(6-3-1)19-16-14-9-13(15(16)17-18-19)11-7-4-8-12(11)14/h1-6,8,11-16H,7,9H2
InChIKey
BXFFCCHZYGRDBR-UHFFFAOYSA-N
Synonyms

1phenyl13a44a57a88aoctahydro48methanoindeno(56d)(123)triazole
C1C=CC2C1C3CC2C4C3N=NN4C5=CC=CC=C5
InChI=1SC16H17N3c12510(631)191614913(15(16)171819)1174812(11)14h1681116H79H2
MFCD01871203
ZINC000239284685
ZINC000239284688

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Available files

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