Vitas-M small molecule compound

N'-[(E)-(2-bromophenyl)methylidene]-2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide

Catalog ID
STK072381
SMILES O=C(CSc1nnc(n1c1ccccc1)c1ccc(cc1)C(C)(C)C)N/N=C/c1ccccc1Br

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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 C27H26BrN5OS MW 548.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26BrN5OS/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
JUPICUATAFWBLA-STBIYBPSSA-N
Synonyms
361164-24-1
(E)N(2bromobenzylidene)2((5(4(tertbutyl)phenyl)4phenyl4H124triazol3yl)thio)acetohydrazide
361164241
CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NN=CC4=CC=CC=C4Br
InChI=1SC27H26BrN5OSc127(23)21151319(141621)25313226(33(25)22105461122)351824(34)302917209781223(20)28h417H18H213H3(H3034)b2917+
MFCD02641891
N((1E)2(2BROMOPHENYL)1AZAVINYL)2(5(4(TERTBUTYL)PHENYL)4PHENYL(124TRIAZOL3YLTHIO))ACETAMIDE
N((E)(2BROMOPHENYL)METHYLIDENE)2((5(4TERTBUTYLPHENYL)4PHENYL4H124TRIAZOL3YL)SULFANYL)ACETOHYDRAZIDE
N((E)(2BROMOPHENYL)METHYLIDENEAMINO)2((5(4TERTBUTYLPHENYL)4PHENYL124TRIAZOL3YL)SULFANYL)ACETAMIDE
O=C(CSc1nnc(n1c1ccccc1)c1ccc(cc1)C(C)(C)C)NN=Cc1ccccc1Br
STK072381
ZINC000002358785
ZINC101472113

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Available files

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