Vitas-M small molecule compound
(4Z)-5-{[(4-chlorophenyl)sulfanyl]methyl}-2-phenyl-4-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methylidene}-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK821503
SMILES Clc1ccc(cc1)SCC1=NN(C(=O)/C/1=C\c1cn(nc1c1cccs1)c1ccccc1)c1ccccc1
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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 C30H21ClN4OS2 MW 553.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H21ClN4OS2/c31-22-13-15-25(16-14-22)38-20-27-26(30(36)35(32-27)24-10-5-2-6-11-24)18-21-19-34(23-8-3-1-4-9-23)33-29(21)28-12-7-17-37-28/h1-19H,20H2/b26-18-InChIKey
JPTQBYZYIFEFHF-ITYLOYPMSA-NSynonyms
(4Z)5(((4chlorophenyl)sulfanyl)methyl)2phenyl4((1phenyl3(thiophen2yl)1Hpyrazol4yl)methylidene)24dihydro3Hpyrazol3one
(4Z)5((4chlorophenyl)sulfanylmethyl)2phenyl4((1phenyl3thiophen2ylpyrazol4yl)methylidene)pyrazol3one
C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CS3)C=C4C(=NN(C4=O)C5=CC=CC=C5)CSC6=CC=C(C=C6)Cl
Clc1ccc(cc1)SCC1=NN(C(=O)C1=Cc1cn(nc1c1cccs1)c1ccccc1)c1ccccc1
InChI=1SC30H21ClN4OS2c3122131525(161422)38202726(30(36)35(3227)24105261124)18211934(238314923)3329(21)28127173728h119H20H2b2618
MFCD03462850
ZINC000097946933
ZINC97946933
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