Vitas-M small molecule compound
4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-1-(4-iodo-1H-pyrazol-1-yl)butan-1-one
Catalog ID
STK685755
SMILES Ic1cnn(c1)C(=O)CCCn1nc(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 C12H14IN5O3 MW 403.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H14IN5O3/c1-8-12(18(20)21)9(2)16(15-8)5-3-4-11(19)17-7-10(13)6-14-17/h6-7H,3-5H2,1-2H3InChIKey
GHWSLQWAXGDTQG-UHFFFAOYSA-NSynonyms
4(35dimethyl4nitro1Hpyrazol1yl)1(4iodo1Hpyrazol1yl)butan1one
4(35DIMETHYL4NITROPYRAZOL1YL)1(4IODOPYRAZOL1YL)BUTAN1ONE
CC1=C(C(=NN1CCCC(=O)N2C=C(C=N2)I)C)(N+)(=O)(O)
Ic1cnn(c1)C(=O)CCCn1nc(c(c1C)(N+)(=O)(O))C
InChI=1SC12H14IN5O3c1812(18(20)21)9(2)16(158)53411(19)17710(13)61417h67H35H212H3
MFCD05860539
ZINC000001431342
ZINC01431342
ZINC1431342
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