Vitas-M small molecule compound
(4E)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-(2,4-dimethoxybenzylidene)-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK029616
SMILES COc1ccc(c(c1)OC)/C=C/1\C(=NN(C1=O)c1ccccc1)CSc1ccc(cc1)Cl
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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 C25H21ClN2O3S MW 464.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21ClN2O3S/c1-30-20-11-8-17(24(15-20)31-2)14-22-23(16-32-21-12-9-18(26)10-13-21)27-28(25(22)29)19-6-4-3-5-7-19/h3-15H,16H2,1-2H3/b22-14+InChIKey
MQBLOCNKGDVOMT-HYARGMPZSA-NSynonyms
(4E)5(((4CHLOROPHENYL)SULFANYL)METHYL)4(24DIMETHOXYBENZYLIDENE)2PHENYL24DIHYDRO3HPYRAZOL3ONE
(4E)5((4CHLOROPHENYL)SULFANYLMETHYL)4((24DIMETHOXYPHENYL)METHYLIDENE)2PHENYLPYRAZOL3ONE
COC1=CC(=C(C=C1)C=C2C(=NN(C2=O)C3=CC=CC=C3)CSC4=CC=C(C=C4)Cl)OC
COc1ccc(c(c1)OC)C=C1C(=NN(C1=O)c1ccccc1)CSc1ccc(cc1)Cl
InChI=1SC25H21ClN2O3Sc1302011817(24(1520)312)142223(16322112918(26)101321)2728(25(22)29)196435719h315H16H212H3b2214+
MFCD03033882
STK029616
ZINC000008749790
ZINC08749790
ZINC8749790
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