Vitas-M small molecule compound

5-nitro-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one

Catalog ID
STK357387
SMILES O=c1[nH]c(nn1C12CC3CC(C2)CC(C1)C3)[N+](=O)[O-]

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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 C12H16N4O3 MW 264.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H16N4O3/c17-11-13-10(16(18)19)14-15(11)12-4-7-1-8(5-12)3-9(2-7)6-12/h7-9H,1-6H2,(H,13,14,17)
InChIKey
DDXGYPTYMCUXQG-UHFFFAOYSA-N
Synonyms
847025-11-0
1((3s5s7s)adamantan1yl)3nitro1H124triazol5(4H)one
2(1adamantyl)5nitro1H124triazol3one
5nitro2(tricyclo(3311~37~)dec1yl)24dihydro3H124triazol3one
847025110
C1C2CC3CC1CC(C2)(C3)N4C(=O)N=C(N4)(N+)(=O)(O)
InChI=1SC12H16N4O3c17111310(16(18)19)1415(11)124718(512)39(27)612h79H16H2(H131417)
MFCD09426388
O=c1(nH)c(nn1C12C(C@@H)3C(C@H)(C2)C(C@H)(C1)C3)(N+)(=O)(O)
O=c1(nH)c(nn1C12CC3CC(C2)CC(C1)C3)(N+)(=O)(O)
ZINC09142788
ZINC9142788

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Available files

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