Vitas-M small molecule compound

3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-1-(2-methylpiperidin-1-yl)propan-1-one

Catalog ID
STL400999
SMILES CC1CCCCN1C(=O)CCn1nc(c(c1C)[N+](=O)[O-])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 C14H22N4O3 MW 294.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H22N4O3/c1-10-6-4-5-8-16(10)13(19)7-9-17-12(3)14(18(20)21)11(2)15-17/h10H,4-9H2,1-3H3
InChIKey
VBLNONVEMMSYKL-UHFFFAOYSA-N
Synonyms
1005653-98-4
1005653984
3(35dimethyl4nitro1Hpyrazol1yl)1(2methylpiperidin1yl)propan1one
3(35dimethyl4nitropyrazol1yl)1(2methylpiperidin1yl)propan1one
CC1CCCCN1C(=O)CCn1nc(c(c1C)(N+)(=O)(O))C
CC1CCCCN1C(=O)CCN2C(=C(C(=N2)C)(N+)(=O)(O))C
InChI=1SC14H22N4O3c110645816(10)13(19)791712(3)14(18(20)21)11(2)1517h10H49H213H3
MFCD04044597
ZINC000002778846
ZINC000002778847

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Available files

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