Vitas-M small molecule compound

3-methyl-1-phenyl-3a,4,5,6,7,8,9,10,11,12,13,13a-dodecahydro-1H-cyclododeca[c]pyrazole

Catalog ID
STK036007
SMILES CC1=NN(C2C1CCCCCCCCCC2)c1ccccc1

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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 C20H30N2 MW 298.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H30N2/c1-17-19-15-11-6-4-2-3-5-7-12-16-20(19)22(21-17)18-13-9-8-10-14-18/h8-10,13-14,19-20H,2-7,11-12,15-16H2,1H3
InChIKey
RUBRHRJZIMUAPN-UHFFFAOYSA-N
Synonyms

3methyl1phenyl3a4567891011121313adodecahydro1Hcyclododeca(c)pyrazole
3methyl1phenyl3a4567891011121313adodecahydrocyclododeca(c)pyrazole
CC1=NN(C2C1CCCCCCCCCC2)c1ccccc1
CC1=NN(C2C1CCCCCCCCCC2)C3=CC=CC=C3
InChI=1SC20H30N2c117191511642357121620(19)22(2117)181398101418h81013141920H2711121516H21H3
MFCD01853110
STK036007
ZINC000004184475
ZINC000004184482

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Available files

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