Vitas-M small molecule compound
4-{(E)-[2-({[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid
Catalog ID
STK080478
SMILES COc1ccc(cc1OC)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 C26H23N5O5S MW 517.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N5O5S/c1-35-21-13-12-19(14-22(21)36-2)24-29-30-26(31(24)20-6-4-3-5-7-20)37-16-23(32)28-27-15-17-8-10-18(11-9-17)25(33)34/h3-15H,16H2,1-2H3,(H,28,32)(H,33,34)/b27-15+InChIKey
ZZBJJMJWEXNMJI-JFLMPSFJSA-NSynonyms
(Z)4((2(2((5(34dimethoxyphenyl)4phenyl4H124triazol3yl)thio)acetyl)hydrazono)methyl)benzoicacid
4((1E)2(2(5(34DIMETHOXYPHENYL)4PHENYL(124TRIAZOL3YLTHIO))ACETYLAMINO)2AZAVINYL)BENZOICACID
4((E)((2((5(34DIMETHOXYPHENYL)4PHENYL124TRIAZOL3YL)SULFANYL)ACETYL)HYDRAZINYLIDENE)METHYL)BENZOICACID
4((E)(2(((5(34DIMETHOXYPHENYL)4PHENYL4H124TRIAZOL3YL)SULFANYL)ACETYL)HYDRAZINYLIDENE)METHYL)BENZOICACID
COC1=C(C=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NN=CC4=CC=C(C=C4)C(=O)O)OC
COc1ccc(cc1OC)c1nnc(n1c1ccccc1)SCC(=O)NN=Cc1ccc(cc1)C(=O)O
InChI=1SC26H23N5O5Sc13521131219(1422(21)362)24293026(31(24)206435720)371623(32)2827151781018(11917)25(33)34h315H16H212H3(H2832)(H3334)b2715+
MFCD02076793
STK080478
ZINC000002331180
ZINC31870549
Check stock
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Check stock on Vitas-MAvailable files
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