Vitas-M small molecule compound

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

Catalog ID
STK015452
SMILES Cc1ccc(cc1)c1csc(n1)N1N=C(/C(=N/Nc2cccc(c2)C(F)(F)F)/C1=O)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 C26H18F3N5OS MW 505.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H18F3N5OS/c1-16-10-12-17(13-11-16)21-15-36-25(30-21)34-24(35)23(22(33-34)18-6-3-2-4-7-18)32-31-20-9-5-8-19(14-20)26(27,28)29/h2-15,31H,1H3/b32-23-
InChIKey
YWBSQZVHGIMFDY-SJIPCVTESA-N
Synonyms

(4Z)2(4(4METHYLPHENYL)13THIAZOL2YL)5PHENYL4((3(TRIFLUOROMETHYL)PHENYL)HYDRAZINYLIDENE)PYRAZOL3ONE
(4Z)2(4(4METHYLPHENYL)13THIAZOL2YL)5PHENYL4(2(3(TRIFLUOROMETHYL)PHENYL)HYDRAZINYLIDENE)24DIHYDRO3HPYRAZOL3ONE
1(4(4METHYLPHENYL)13THIAZOL2YL)3PHENYL1HPYRAZOLE45DIONE4((3(TRIFLUOROMETHYL)PHENYL)HYDRAZONE)
CC1=CC=C(C=C1)C2=CSC(=N2)N3C(=O)C(=NNC4=CC=CC(=C4)C(F)(F)F)C(=N3)C5=CC=CC=C5
Cc1ccc(cc1)c1csc(n1)N1N=C(C(=NNc2cccc(c2)C(F)(F)F)C1=O)c1ccccc1
InChI=1SC26H18F3N5OSc116101217(131116)21153625(3021)3424(35)23(22(3334)186324718)32312095819(1420)26(2728)29h21531H1H3b3223
MFCD02026123
STK015452
ZINC000008398456
ZINC08398456
ZINC100135654

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.