Vitas-M small molecule compound
2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[2-(trifluoromethyl)phenyl]methylidene}acetohydrazide
Catalog ID
STK014687
SMILES O=C(CSc1nnc(n1c1ccccc1)c1ccc(cc1)C(C)(C)C)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 C28H26F3N5OS MW 537.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26F3N5OS/c1-27(2,3)21-15-13-19(14-16-21)25-34-35-26(36(25)22-10-5-4-6-11-22)38-18-24(37)33-32-17-20-9-7-8-12-23(20)28(29,30)31/h4-17H,18H2,1-3H3,(H,33,37)/b32-17+InChIKey
PPEIKEYNQFNFNC-VTNSRFBWSA-NSynonyms
361164-18-3(E)2((5(4(tertbutyl)phenyl)4phenyl4H124triazol3yl)thio)N(2(trifluoromethyl)benzylidene)acetohydrazide
2((5(4TERTBUTYLPHENYL)4PHENYL124TRIAZOL3YL)SULFANYL)N((E)(2(TRIFLUOROMETHYL)PHENYL)METHYLIDENEAMINO)ACETAMIDE
2((5(4TERTBUTYLPHENYL)4PHENYL4H124TRIAZOL3YL)SULFANYL)N((E)(2(TRIFLUOROMETHYL)PHENYL)METHYLIDENE)ACETOHYDRAZIDE
361164183
CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NN=CC4=CC=CC=C4C(F)(F)F
InChI=1SC28H26F3N5OSc127(23)21151319(141621)25343526(36(25)22105461122)381824(37)333217209781223(20)28(2930)31h417H18H213H3(H3337)b3217+
MFCD02641885
O=C(CSc1nnc(n1c1ccccc1)c1ccc(cc1)C(C)(C)C)NN=Cc1ccccc1C(F)(F)F
STK014687
ZINC000002328597
ZINC101393840
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.