Vitas-M small molecule compound
4-{(E)-[2-({[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid
Catalog ID
STK067038
SMILES COc1ccc(cc1)c1nnc(n1c1ccccc1)SCC(=O)N/N=C/c1ccc(cc1)C(=O)O
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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 C25H21N5O4S MW 487.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N5O4S/c1-34-21-13-11-18(12-14-21)23-28-29-25(30(23)20-5-3-2-4-6-20)35-16-22(31)27-26-15-17-7-9-19(10-8-17)24(32)33/h2-15H,16H2,1H3,(H,27,31)(H,32,33)/b26-15+InChIKey
XXQYJRPDFAJWSP-CVKSISIWSA-NSynonyms
315230-01-4(E)4((2(2((5(4methoxyphenyl)4phenyl4H124triazol3yl)thio)acetyl)hydrazono)methyl)benzoicacid
315230014
4((1E)2(2(5(4METHOXYPHENYL)4PHENYL(124TRIAZOL3YLTHIO))ACETYLAMINO)2AZAVINYL)BENZOICACID
4((E)((2((5(4METHOXYPHENYL)4PHENYL124TRIAZOL3YL)SULFANYL)ACETYL)HYDRAZINYLIDENE)METHYL)BENZOICACID
4((E)(2(((5(4METHOXYPHENYL)4PHENYL4H124TRIAZOL3YL)SULFANYL)ACETYL)HYDRAZINYLIDENE)METHYL)BENZOICACID
COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NN=CC4=CC=C(C=C4)C(=O)O
COc1ccc(cc1)c1nnc(n1c1ccccc1)SCC(=O)NN=Cc1ccc(cc1)C(=O)O
InChI=1SC25H21N5O4Sc13421131118(121421)23282925(30(23)205324620)351622(31)272615177919(10817)24(32)33h215H16H21H3(H2731)(H3233)b2615+
MFCD02077320
STK067038
ZINC000000863873
ZINC33343772
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