Vitas-M small molecule compound

2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[2-(trifluoromethyl)phenyl]methylidene}acetohydrazide

Catalog ID
STK015348
SMILES O=C(CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)Cl)N/N=C/c1ccccc1C(F)(F)F

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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 C25H19ClF3N5OS MW 529.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19ClF3N5OS/c1-16-6-12-20(13-7-16)34-23(17-8-10-19(26)11-9-17)32-33-24(34)36-15-22(35)31-30-14-18-4-2-3-5-21(18)25(27,28)29/h2-14H,15H2,1H3,(H,31,35)/b30-14+
InChIKey
GDFOWLIEQXBXPN-AMVVHIIESA-N
Synonyms
303204-60-6
(E)2((5(4chlorophenyl)4(ptolyl)4H124triazol3yl)thio)N(2(trifluoromethyl)benzylidene)acetohydrazide
2((5(4CHLOROPHENYL)4(4METHYLPHENYL)124TRIAZOL3YL)SULFANYL)N((E)(2(TRIFLUOROMETHYL)PHENYL)METHYLIDENEAMINO)ACETAMIDE
2((5(4CHLOROPHENYL)4(4METHYLPHENYL)4H124TRIAZOL3YL)SULFANYL)N((E)(2(TRIFLUOROMETHYL)PHENYL)METHYLIDENE)ACETOHYDRAZIDE
303204606
CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NN=CC3=CC=CC=C3C(F)(F)F)C4=CC=C(C=C4)Cl
InChI=1SC25H19ClF3N5OSc11661220(13716)3423(1781019(26)11917)323324(34)361522(35)31301418423521(18)25(2728)29h214H15H21H3(H3135)b3014+
MFCD02077438
O=C(CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)Cl)NN=Cc1ccccc1C(F)(F)F
STK015348
ZINC000002344919
ZINC100137908

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Available files

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