Vitas-M small molecule compound

(4E)-5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-{2-[2-(trifluoromethyl)phenyl]hydrazinylidene}-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STK069033
SMILES Cc1ccc(cc1)c1csc(n1)N1N=C(/C(=N\Nc2ccccc2C(F)(F)F)/C1=O)C

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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 C21H16F3N5OS MW 443.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16F3N5OS/c1-12-7-9-14(10-8-12)17-11-31-20(25-17)29-19(30)18(13(2)28-29)27-26-16-6-4-3-5-15(16)21(22,23)24/h3-11,26H,1-2H3/b27-18+
InChIKey
WIIHABIHGUOPRE-OVVQPSECSA-N
Synonyms

(4E)5METHYL2(4(4METHYLPHENYL)13THIAZOL2YL)4((2(TRIFLUOROMETHYL)PHENYL)HYDRAZINYLIDENE)PYRAZOL3ONE
(4E)5METHYL2(4(4METHYLPHENYL)13THIAZOL2YL)4(2(2(TRIFLUOROMETHYL)PHENYL)HYDRAZINYLIDENE)24DIHYDRO3HPYRAZOL3ONE
3METHYL1(4(4METHYLPHENYL)13THIAZOL2YL)1HPYRAZOLE45DIONE4((2(TRIFLUOROMETHYL)PHENYL)HYDRAZONE)
CC1=CC=C(C=C1)C2=CSC(=N2)N3C(=O)C(=NNC4=CC=CC=C4C(F)(F)F)C(=N3)C
Cc1ccc(cc1)c1csc(n1)N1N=C(C(=NNc2ccccc2C(F)(F)F)C1=O)C
InChI=1SC21H16F3N5OSc1127914(10812)17113120(2517)2919(30)18(13(2)2829)272616643515(16)21(2223)24h31126H12H3b2718+
MFCD01027688
STK069033
ZINC000018122002
ZINC100006031

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Available files

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