Vitas-M small molecule compound

(4Z)-4-{[3-(4-butoxy-3-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-5-{[(4-methylphenyl)sulfanyl]methyl}-2-phenyl-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STK702650
SMILES CCCCOc1ccc(cc1C)c1nn(cc1/C=C\1/C(=NN(C1=O)c1ccccc1)CSc1ccc(cc1)C)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 C38H36N4O2S MW 612.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H36N4O2S/c1-4-5-22-44-36-21-18-29(23-28(36)3)37-30(25-41(40-37)31-12-8-6-9-13-31)24-34-35(26-45-33-19-16-27(2)17-20-33)39-42(38(34)43)32-14-10-7-11-15-32/h6-21,23-25H,4-5,22,26H2,1-3H3/b34-24-
InChIKey
BGLXFRXQVMFMCR-BCJTWVECSA-N
Synonyms

(4Z)4((3(4butoxy3methylphenyl)1phenyl1Hpyrazol4yl)methylidene)5(((4methylphenyl)sulfanyl)methyl)2phenyl24dihydro3Hpyrazol3one
(4Z)4((3(4BUTOXY3METHYLPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)5((4METHYLPHENYL)SULFANYLMETHYL)2PHENYLPYRAZOL3ONE
(E)4((3(4butoxy3methylphenyl)1phenyl1Hpyrazol4yl)methylene)1phenyl3((ptolylthio)methyl)1Hpyrazol5(4H)one
CCCCOC1=C(C=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)C
CCCCOc1ccc(cc1C)c1nn(cc1C=C1C(=NN(C1=O)c1ccccc1)CSc1ccc(cc1)C)c1ccccc1
InChI=1SC38H36N4O2Sc145224436211829(2328(36)3)3730(2541(4037)31128691331)243435(264533191627(2)172033)3942(38(34)43)3214107111532h6212325H452226H213H3b3424
MFCD03225792
ZINC000097946089
ZINC97946089

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Available files

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