Vitas-M small molecule compound

1-(3-chlorotricyclo[3.3.1.1~3,7~]dec-1-yl)-5-methyl-3-nitro-1H-1,2,4-triazole

Catalog ID
STK770458
SMILES [O-][N+](=O)c1nn(c(n1)C)C12CC3CC(C1)CC(C2)(C3)Cl

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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 C13H17ClN4O2 MW 296.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H17ClN4O2/c1-8-15-11(18(19)20)16-17(8)13-5-9-2-10(6-13)4-12(14,3-9)7-13/h9-10H,2-7H2,1H3
InChIKey
QBHAJUNYMWMAEH-UHFFFAOYSA-N
Synonyms

(O)(N+)(=O)c1nn(c(n1)C)C12CC3CC(C1)CC(C2)(C3)Cl
1(3CHLORO1ADAMANTYL)5METHYL3NITRO124TRIAZOLE
1(3CHLORO1ADAMANTYL)5METHYL3NITRO1H124TRIAZOLE
1(3CHLOROADAMANTANYL)5METHYL3NITRO124TRIAZOLE
1(3chlorotricyclo(3311~37~)dec1yl)5methyl3nitro1H124triazole
1H(124)TRIAZOLE1(3CHLOROADAMANTAN1YL)5METHYL3NITRO
CC1=NC(=NN1C23CC4CC(C2)CC(C4)(C3)Cl)(N+)(=O)(O)
InChI=1SC13H17ClN4O2c181511(18(19)20)1617(8)1359210(613)412(1439)713h910H27H21H3
MFCD03766184
ZINC000100126124

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Available files

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