Vitas-M small molecule compound
(4E)-5-[(4-chlorophenyl)sulfanyl]-4-(3-methoxybenzylidene)-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK896743
SMILES COc1cccc(c1)/C=C\1/C(=NN(C1=O)c1ccccc1)Sc1ccc(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 C23H17ClN2O2S MW 420.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17ClN2O2S/c1-28-19-9-5-6-16(14-19)15-21-22(29-20-12-10-17(24)11-13-20)25-26(23(21)27)18-7-3-2-4-8-18/h2-15H,1H3/b21-15-InChIKey
ZOGGHVBSOFJESG-QNGOZBTKSA-NSynonyms
(4E)5((4chlorophenyl)sulfanyl)4(3methoxybenzylidene)2phenyl24dihydro3Hpyrazol3one
(4E)5(4chlorophenyl)sulfanyl4((3methoxyphenyl)methylidene)2phenylpyrazol3one
COC1=CC=CC(=C1)C=C2C(=NN(C2=O)C3=CC=CC=C3)SC4=CC=C(C=C4)Cl
COc1cccc(c1)C=C1C(=NN(C1=O)c1ccccc1)Sc1ccc(cc1)Cl
InChI=1SC23H17ClN2O2Sc1281995616(1419)152122(2920121017(24)111320)2526(23(21)27)187324818h215H1H3b2115
MFCD18172742
ZINC000040488427
ZINC40488427
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