Vitas-M small molecule compound
(4E)-5-{[(4-methylphenyl)sulfanyl]methyl}-4-({3-[3-methyl-4-(propan-2-yloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK999792
SMILES Cc1ccc(cc1)SCC1=NN(C(=O)/C/1=C/c1cn(nc1c1ccc(c(c1)C)OC(C)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 C37H34N4O2S MW 598.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H34N4O2S/c1-25(2)43-35-20-17-28(21-27(35)4)36-29(23-40(39-36)30-11-7-5-8-12-30)22-33-34(24-44-32-18-15-26(3)16-19-32)38-41(37(33)42)31-13-9-6-10-14-31/h5-23,25H,24H2,1-4H3/b33-22+InChIKey
AFQDPCGVRXJWJD-STKMKYKTSA-NSynonyms
(4E)5(((4methylphenyl)sulfanyl)methyl)4((3(3methyl4(propan2yloxy)phenyl)1phenyl1Hpyrazol4yl)methylidene)2phenyl24dihydro3Hpyrazol3one
(4E)5((4methylphenyl)sulfanylmethyl)4((3(3methyl4propan2yloxyphenyl)1phenylpyrazol4yl)methylidene)2phenylpyrazol3one
(E)4((3(4isopropoxy3methylphenyl)1phenyl1Hpyrazol4yl)methylene)1phenyl3((ptolylthio)methyl)1Hpyrazol5(4H)one
CC1=CC=C(C=C1)SCC2=NN(C(=O)C2=CC3=CN(N=C3C4=CC(=C(C=C4)OC(C)C)C)C5=CC=CC=C5)C6=CC=CC=C6
Cc1ccc(cc1)SCC1=NN(C(=O)C1=Cc1cn(nc1c1ccc(c(c1)C)OC(C)C)c1ccccc1)c1ccccc1
InChI=1SC37H34N4O2Sc125(2)4335201728(2127(35)4)3629(2340(3936)30117581230)223334(244432181526(3)161932)3841(37(33)42)311396101431h52325H24H214H3b3322+
MFCD02993903
ZINC000103562020
ZINC103562020
Check stock
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Check stock on Vitas-MAvailable files
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