Vitas-M small molecule compound
(4E)-4-[4-(dimethylamino)benzylidene]-5-methyl-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK042403
SMILES CC1=NN(C(=O)/C/1=C/c1ccc(cc1)N(C)C)c1scc(n1)c1cccc(c1)[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 C22H19N5O3S MW 433.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N5O3S/c1-14-19(11-15-7-9-17(10-8-15)25(2)3)21(28)26(24-14)22-23-20(13-31-22)16-5-4-6-18(12-16)27(29)30/h4-13H,1-3H3/b19-11+InChIKey
VSUNGBQYACGMKK-YBFXNURJSA-NSynonyms
(4E)4((4(dimethylamino)phenyl)methylidene)5methyl2(4(3nitrophenyl)13thiazol2yl)pyrazol3one
(4E)4((4DIMETHYLAMINOPHENYL)METHYLIDENE)5METHYL2(4(3NITROPHENYL)13THIAZOL2YL)PYRAZOL3ONE
(4E)4(4(DIMETHYLAMINO)BENZYLIDENE)5METHYL2(4(3NITROPHENYL)13THIAZOL2YL)24DIHYDRO3HPYRAZOL3ONE
4(4(DIMETHYLAMINO)BENZYLIDENE)2(4(3NITROPHENYL)13THIAZOL2YL)5METHYL24DIHYDRO3HPYRAZOL3ONE
CC1=NN(C(=O)C1=Cc1ccc(cc1)N(C)C)c1scc(n1)c1cccc(c1)(N+)(=O)(O)
CC1=NN(C(=O)C1=CC2=CC=C(C=C2)N(C)C)C3=NC(=CS3)C4=CC(=CC=C4)(N+)(=O)(O)
InChI=1SC22H19N5O3Sc11419(11157917(10815)25(2)3)21(28)26(2414)222320(133122)1654618(1216)27(29)30h413H13H3b1911+
MFCD01142651
STK042403
ZINC000008435421
ZINC08435421
ZINC8435421
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.