Vitas-M small molecule compound

3-nitro-1-[3-(trifluoromethyl)benzyl]-1H-1,2,4-triazole

Catalog ID
STK305323
SMILES [O-][N+](=O)c1ncn(n1)Cc1cccc(c1)C(F)(F)F

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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 C10H7F3N4O2 MW 272.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C10H7F3N4O2/c11-10(12,13)8-3-1-2-7(4-8)5-16-6-14-9(15-16)17(18)19/h1-4,6H,5H2
InChIKey
HBFNQIGVECINRP-UHFFFAOYSA-N
Synonyms
610255-48-6
(O)(N+)(=O)c1ncn(n1)Cc1cccc(c1)C(F)(F)F
3NITRO1((3(TRIFLUOROMETHYL)PHENYL)METHYL)124TRIAZOLE
3nitro1(3(trifluoromethyl)benzyl)1H124triazole
610255486
C1=CC(=CC(=C1)C(F)(F)F)CN2C=NC(=N2)(N+)(=O)(O)
InChI=1SC10H7F3N4O2c1110(1213)83127(48)5166149(1516)17(18)19h146H5H2
MFCD02029288
ZINC000000614348
ZINC00614348
ZINC614348

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Available files

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