Vitas-M small molecule compound
1-[5-(3-nitrophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]propan-1-one
Catalog ID
STK853556
SMILES CCC(=O)N1N=C(CC1c1cccc(c1)[N+](=O)[O-])c1cccs1
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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 C16H15N3O3S MW 329.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15N3O3S/c1-2-16(20)18-14(10-13(17-18)15-7-4-8-23-15)11-5-3-6-12(9-11)19(21)22/h3-9,14H,2,10H2,1H3InChIKey
UDUAZOWRSKHYMB-UHFFFAOYSA-NSynonyms
708281-83-81(3(3NITROPHENYL)5THIOPHEN2YL34DIHYDROPYRAZOL2YL)PROPAN1ONE
1(5(3nitrophenyl)3(thiophen2yl)45dihydro1Hpyrazol1yl)propan1one
708281838
CCC(=O)N1C(CC(=N1)C2=CC=CS2)C3=CC(=CC=C3)(N+)(=O)(O)
CCC(=O)N1N=C(CC1c1cccc(c1)(N+)(=O)(O))c1cccs1
InChI=1SC16H15N3O3Sc1216(20)1814(1013(1718)157482315)1153612(911)19(21)22h3914H210H21H3
MFCD05992726
ZINC000000612811
ZINC000000612812
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