Vitas-M small molecule compound
1-(4-chloro-1H-pyrazol-1-yl)-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butan-1-one
Catalog ID
STK780524
SMILES Clc1cnn(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 C12H14ClN5O3 MW 311.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H14ClN5O3/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
MBQWTSUODSZLAP-UHFFFAOYSA-NSynonyms
1(4chloro1Hpyrazol1yl)4(35dimethyl4nitro1Hpyrazol1yl)butan1one
1(4CHLOROPYRAZOL1YL)4(35DIMETHYL4NITROPYRAZOL1YL)BUTAN1ONE
CC1=C(C(=NN1CCCC(=O)N2C=C(C=N2)Cl)C)(N+)(=O)(O)
Clc1cnn(c1)C(=O)CCCn1nc(c(c1C)(N+)(=O)(O))C
InChI=1SC12H14ClN5O3c1812(18(20)21)9(2)16(158)53411(19)17710(13)61417h67H35H212H3
MFCD05860538
ZINC000001431341
ZINC01431341
ZINC1431341
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