Vitas-M small molecule compound

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

Catalog ID
STL071035
SMILES COc1ccc(cc1/C=N/NC(=O)CSc1nnc(n1c1ccccc1)c1ccc(cc1)Br)OC

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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 C25H22BrN5O3S MW 552.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22BrN5O3S/c1-33-21-12-13-22(34-2)18(14-21)15-27-28-23(32)16-35-25-30-29-24(17-8-10-19(26)11-9-17)31(25)20-6-4-3-5-7-20/h3-15H,16H2,1-2H3,(H,28,32)/b27-15+
InChIKey
DHTRJAIUABGFFH-JFLMPSFJSA-N
Synonyms
303103-32-4
(E)2((5(4bromophenyl)4phenyl4H124triazol3yl)thio)N(25dimethoxybenzylidene)acetohydrazide
2((5(4BROMOPHENYL)4PHENYL124TRIAZOL3YL)SULFANYL)N((E)(25DIMETHOXYPHENYL)METHYLIDENEAMINO)ACETAMIDE
2((5(4bromophenyl)4phenyl4H124triazol3yl)sulfanyl)N((E)(25dimethoxyphenyl)methylidene)acetohydrazide
303103324
COC1=CC(=C(C=C1)OC)C=NNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)Br
COc1ccc(cc1C=NNC(=O)CSc1nnc(n1c1ccccc1)c1ccc(cc1)Br)OC
InChI=1SC25H22BrN5O3Sc13321121322(342)18(1421)15272823(32)163525302924(1781019(26)11917)31(25)206435720h315H16H212H3(H2832)b2715+
MFCD02074891
ZINC000001898025
ZINC102964976

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Available files

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