Vitas-M small molecule compound

methyl (2E)-[2-(4-bromophenyl)hydrazinylidene][(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanoate

Catalog ID
STL000599
SMILES COC(=O)/C(=N\Nc1ccc(cc1)Br)/Sc1nnc(n1c1ccccc1)c1ccccc1

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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 C23H18BrN5O2S MW 508.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18BrN5O2S/c1-31-22(30)21(27-25-18-14-12-17(24)13-15-18)32-23-28-26-20(16-8-4-2-5-9-16)29(23)19-10-6-3-7-11-19/h2-15,25H,1H3/b27-21+
InChIKey
QQEBSAJJSSNGIK-SZXQPVLSSA-N
Synonyms
669761-31-3
(E)methyl2(2(4bromophenyl)hydrazono)2((45diphenyl4H124triazol3yl)thio)acetate
669761313
COC(=O)C(=NNC1=CC=C(C=C1)Br)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4
COC(=O)C(=NNc1ccc(cc1)Br)Sc1nnc(n1c1ccccc1)c1ccccc1
InChI=1SC23H18BrN5O2Sc13122(30)21(272518141217(24)131518)3223282620(168425916)29(23)19106371119h21525H1H3b2721+
methyl(2E)(2(4bromophenyl)hydrazinylidene)((45diphenyl4H124triazol3yl)sulfanyl)ethanoate
METHYL(2E)2((4BROMOPHENYL)HYDRAZINYLIDENE)2((45DIPHENYL124TRIAZOL3YL)SULFANYL)ACETATE
MFCD03671019
ZINC000009075466
ZINC33350281

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Available files

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