Vitas-M small molecule compound
methyl 4-{(E)-[2-({[4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoate
Catalog ID
STK103084
SMILES COC(=O)c1ccc(cc1)/C=N/NC(=O)CSc1nnc(n1c1ccc(cc1)Br)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 C25H20BrN5O3S MW 550.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20BrN5O3S/c1-34-24(33)19-9-7-17(8-10-19)15-27-28-22(32)16-35-25-30-29-23(18-5-3-2-4-6-18)31(25)21-13-11-20(26)12-14-21/h2-15H,16H2,1H3,(H,28,32)/b27-15+InChIKey
DTYGOHRCPMGJML-JFLMPSFJSA-NSynonyms
488096-85-1(E)methyl4((2(2((4(4bromophenyl)5phenyl4H124triazol3yl)thio)acetyl)hydrazono)methyl)benzoate
488096851
COC(=O)C1=CC=C(C=C1)C=NNC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Br)C4=CC=CC=C4
COC(=O)c1ccc(cc1)C=NNC(=O)CSc1nnc(n1c1ccc(cc1)Br)c1ccccc1
InChI=1SC25H20BrN5O3Sc13424(33)199717(81019)15272822(32)163525302923(185324618)31(25)21131120(26)121421h215H16H21H3(H2832)b2715+
METHYL4((1E)2(2(4(4BROMOPHENYL)5PHENYL(124TRIAZOL3YLTHIO))ACETYLAMINO)2AZAVINYL)BENZOATE
METHYL4((E)((2((4(4BROMOPHENYL)5PHENYL124TRIAZOL3YL)SULFANYL)ACETYL)HYDRAZINYLIDENE)METHYL)BENZOATE
METHYL4((E)(2(((4(4BROMOPHENYL)5PHENYL4H124TRIAZOL3YL)SULFANYL)ACETYL)HYDRAZINYLIDENE)METHYL)BENZOATE
MFCD03288378
ZINC000001794666
ZINC101506458
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.