Vitas-M small molecule compound
2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2-fluorophenyl)methylidene]acetohydrazide
Catalog ID
STK077505
SMILES O=C(CSc1nnc(n1c1ccccc1)c1ccc(cc1)C(C)(C)C)N/N=C/c1ccccc1F
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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 C27H26FN5OS MW 487.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26FN5OS/c1-27(2,3)21-15-13-19(14-16-21)25-31-32-26(33(25)22-10-5-4-6-11-22)35-18-24(34)30-29-17-20-9-7-8-12-23(20)28/h4-17H,18H2,1-3H3,(H,30,34)/b29-17+InChIKey
SGYRYQKREMLYOQ-STBIYBPSSA-NSynonyms
361164-51-4(E)2((5(4(tertbutyl)phenyl)4phenyl4H124triazol3yl)thio)N(2fluorobenzylidene)acetohydrazide
2((5(4TERTBUTYLPHENYL)4PHENYL124TRIAZOL3YL)SULFANYL)N((E)(2FLUOROPHENYL)METHYLIDENEAMINO)ACETAMIDE
2((5(4TERTBUTYLPHENYL)4PHENYL4H124TRIAZOL3YL)SULFANYL)N((E)(2FLUOROPHENYL)METHYLIDENE)ACETOHYDRAZIDE
361164514
CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NN=CC4=CC=CC=C4F
InChI=1SC27H26FN5OSc127(23)21151319(141621)25313226(33(25)22105461122)351824(34)302917209781223(20)28h417H18H213H3(H3034)b2917+
MFCD02641924
O=C(CSc1nnc(n1c1ccccc1)c1ccc(cc1)C(C)(C)C)NN=Cc1ccccc1F
STK077505
ZINC000002331277
ZINC33361245
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