Vitas-M small molecule compound
(4Z)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-(3,4-dimethoxybenzylidene)-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK083310
SMILES COc1ccc(cc1OC)/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/c1-30-23-13-8-17(15-24(23)31-2)14-21-22(16-32-20-11-9-18(26)10-12-20)27-28(25(21)29)19-6-4-3-5-7-19/h3-15H,16H2,1-2H3/b21-14-InChIKey
APHBWWBVVANIKR-STZFKDTASA-NSynonyms
(4Z)5(((4CHLOROPHENYL)SULFANYL)METHYL)4(34DIMETHOXYBENZYLIDENE)2PHENYL24DIHYDRO3HPYRAZOL3ONE
(4Z)5((4chlorophenyl)sulfanylmethyl)4((34dimethoxyphenyl)methylidene)2phenylpyrazol3one
COC1=C(C=C(C=C1)C=C2C(=NN(C2=O)C3=CC=CC=C3)CSC4=CC=C(C=C4)Cl)OC
COc1ccc(cc1OC)C=C1C(=NN(C1=O)c1ccccc1)CSc1ccc(cc1)Cl
InChI=1SC25H21ClN2O3Sc1302313817(1524(23)312)142122(16322011918(26)101220)2728(25(21)29)196435719h315H16H212H3b2114
MFCD03033772
STK083310
ZINC000013893544
ZINC13893544
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