Vitas-M small molecule compound
(4Z)-4-{[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-5-{[(4-methylphenyl)sulfanyl]methyl}-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK821508
SMILES Cc1ccc(cc1)SCC1=NN(C(=O)/C/1=C\c1cn(nc1c1ccc(cc1)C)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 C34H28N4OS MW 540.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H28N4OS/c1-24-13-17-26(18-14-24)33-27(22-37(36-33)28-9-5-3-6-10-28)21-31-32(23-40-30-19-15-25(2)16-20-30)35-38(34(31)39)29-11-7-4-8-12-29/h3-22H,23H2,1-2H3/b31-21-InChIKey
HMRMLIFNRPEACG-YQYKVWLJSA-NSynonyms
(4Z)4((3(4methylphenyl)1phenyl1Hpyrazol4yl)methylidene)5(((4methylphenyl)sulfanyl)methyl)2phenyl24dihydro3Hpyrazol3one
(4Z)4((3(4methylphenyl)1phenylpyrazol4yl)methylidene)5((4methylphenyl)sulfanylmethyl)2phenylpyrazol3one
CC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=NN(C3=O)C4=CC=CC=C4)CSC5=CC=C(C=C5)C)C6=CC=CC=C6
Cc1ccc(cc1)SCC1=NN(C(=O)C1=Cc1cn(nc1c1ccc(cc1)C)c1ccccc1)c1ccccc1
InChI=1SC34H28N4OSc124131726(181424)3327(2237(3633)2895361028)213132(234030191525(2)162030)3538(34(31)39)29117481229h322H23H212H3b3121
MFCD03462852
ZINC000097946935
ZINC97946935
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