Vitas-M small molecule compound

2-{(E)-[2-({[4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid

Catalog ID
STK722889
SMILES COc1ccc(cc1)n1c(SCC(=O)N/N=C/c2ccccc2C(=O)O)nnc1c1ccccc1

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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/c1-34-20-13-11-19(12-14-20)30-23(17-7-3-2-4-8-17)28-29-25(30)35-16-22(31)27-26-15-18-9-5-6-10-21(18)24(32)33/h2-15H,16H2,1H3,(H,27,31)(H,32,33)/b26-15+
InChIKey
ZCFCKBHVZCQBNL-CVKSISIWSA-N
Synonyms
497822-11-4
(E)2((2(2((4(4methoxyphenyl)5phenyl4H124triazol3yl)thio)acetyl)hydrazono)methyl)benzoicacid
2((1E)2(2(4(4METHOXYPHENYL)5PHENYL(124TRIAZOL3YLTHIO))ACETYLAMINO)2AZAVINYL)BENZOICACID
2((E)((2((4(4METHOXYPHENYL)5PHENYL124TRIAZOL3YL)SULFANYL)ACETYL)HYDRAZINYLIDENE)METHYL)BENZOICACID
2((E)(2(((4(4methoxyphenyl)5phenyl4H124triazol3yl)sulfanyl)acetyl)hydrazinylidene)methyl)benzoicacid
497822114
COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NN=CC3=CC=CC=C3C(=O)O)C4=CC=CC=C4
COc1ccc(cc1)n1c(SCC(=O)NN=Cc2ccccc2C(=O)O)nnc1c1ccccc1
InChI=1SC25H21N5O4Sc13420131119(121420)3023(177324817)282925(30)351622(31)272615189561021(18)24(32)33h215H16H21H3(H2731)(H3233)b2615+
MFCD03222592
ZINC000000949937
ZINC4459283

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.