Vitas-M small molecule compound
(2-{(E)-[2-({[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}phenoxy)acetic acid
Catalog ID
STK017456
SMILES COc1ccc(cc1OC)c1nnc(n1c1ccccc1)SCC(=O)N/N=C/c1ccccc1OCC(=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 C27H25N5O6S MW 547.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N5O6S/c1-36-22-13-12-18(14-23(22)37-2)26-30-31-27(32(26)20-9-4-3-5-10-20)39-17-24(33)29-28-15-19-8-6-7-11-21(19)38-16-25(34)35/h3-15H,16-17H2,1-2H3,(H,29,33)(H,34,35)/b28-15+InChIKey
IQUJWZJNDSPKTB-RWPZCVJISA-NSynonyms
(2((E)(2(((5(34DIMETHOXYPHENYL)4PHENYL4H124TRIAZOL3YL)SULFANYL)ACETYL)HYDRAZINYLIDENE)METHYL)PHENOXY)ACETICACID
(Z)2(2((2(2((5(34dimethoxyphenyl)4phenyl4H124triazol3yl)thio)acetyl)hydrazono)methyl)phenoxy)aceticacid
2(2((1E)2(2(5(34DIMETHOXYPHENYL)4PHENYL(124TRIAZOL3YLTHIO))ACETYLAMINO)2AZAVINYL)PHENOXY)ACETICACID
2(2((E)((2((5(34dimethoxyphenyl)4phenyl124triazol3yl)sulfanyl)acetyl)hydrazinylidene)methyl)phenoxy)aceticacid
COC1=C(C=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NN=CC4=CC=CC=C4OCC(=O)O)OC
COc1ccc(cc1OC)c1nnc(n1c1ccccc1)SCC(=O)NN=Cc1ccccc1OCC(=O)O
InChI=1SC27H25N5O6Sc13622131218(1423(22)372)26303127(32(26)2094351020)391724(33)292815198671121(19)381625(34)35h315H1617H212H3(H2933)(H3435)b2815+
MFCD01841574
STK017456
ZINC000100302761
ZINC100302759
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