Vitas-M small molecule compound

1-[4-(propan-2-yl)benzyl]-1H-benzotriazole

Catalog ID
STL257690
SMILES CC(c1ccc(cc1)Cn1nnc2c1cccc2)C

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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/c1-12(2)14-9-7-13(8-10-14)11-19-16-6-4-3-5-15(16)17-18-19/h3-10,12H,11H2,1-2H3
InChIKey
XGGMDKGGLDNKSD-UHFFFAOYSA-N
Synonyms
838898-24-1
((4(METHYLETHYL)PHENYL)METHYL)BENZOTRIAZOLE
1((4PROPAN2YLPHENYL)METHYL)BENZOTRIAZOLE
1(4(propan2yl)benzyl)1Hbenzotriazole
1(4ISOPROPYLBENZYL)1HBENZO(D)(123)TRIAZOLE
838898241
CC(C)C1=CC=C(C=C1)CN2C3=CC=CC=C3N=N2
InChI=1SC16H17N3c112(2)149713(81014)111916643515(16)171819h31012H11H212H3
MFCD06421566
ZINC000004857966
ZINC04857966
ZINC4857966

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Available files

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