Vitas-M small molecule compound

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

Catalog ID
STL362623
SMILES CCOc1ccc(cc1)/C=N/NC(=O)CSc1nnc(n1c1ccccc1)c1ccc(cc1)Br

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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 C25H22BrN5O2S MW 536.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22BrN5O2S/c1-2-33-22-14-8-18(9-15-22)16-27-28-23(32)17-34-25-30-29-24(19-10-12-20(26)13-11-19)31(25)21-6-4-3-5-7-21/h3-16H,2,17H2,1H3,(H,28,32)/b27-16+
InChIKey
QOKDQBBAMZPJIC-JVWAILMASA-N
Synonyms
303103-40-4
(E)2((5(4bromophenyl)4phenyl4H124triazol3yl)thio)N(4ethoxybenzylidene)acetohydrazide
2((5(4BROMOPHENYL)4PHENYL124TRIAZOL3YL)SULFANYL)N((E)(4ETHOXYPHENYL)METHYLIDENEAMINO)ACETAMIDE
2((5(4bromophenyl)4phenyl4H124triazol3yl)sulfanyl)N((E)(4ethoxyphenyl)methylidene)acetohydrazide
303103404
CCOC1=CC=C(C=C1)C=NNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)Br
CCOc1ccc(cc1)C=NNC(=O)CSc1nnc(n1c1ccccc1)c1ccc(cc1)Br
InChI=1SC25H22BrN5O2Sc12332214818(91522)16272823(32)173425302924(19101220(26)131119)31(25)216435721h316H217H21H3(H2832)b2716+
MFCD02074896
N((1E)2(4ETHOXYPHENYL)1AZAVINYL)2(5(4BROMOPHENYL)4PHENYL(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000002272976
ZINC103441727

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Available files

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