Vitas-M small molecule compound
methyl 4-{(E)-[2-({[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoate
Catalog ID
STK013697
SMILES COC(=O)c1ccc(cc1)/C=N/NC(=O)CSc1nnc(n1c1ccccc1)c1ccc(c(c1)OC)OC
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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 C27H25N5O5S MW 531.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N5O5S/c1-35-22-14-13-20(15-23(22)36-2)25-30-31-27(32(25)21-7-5-4-6-8-21)38-17-24(33)29-28-16-18-9-11-19(12-10-18)26(34)37-3/h4-16H,17H2,1-3H3,(H,29,33)/b28-16+InChIKey
ZBBZNSFPPZICEU-LQKURTRISA-NSynonyms
(Z)methyl4((2(2((5(34dimethoxyphenyl)4phenyl4H124triazol3yl)thio)acetyl)hydrazono)methyl)benzoate
COC(=O)c1ccc(cc1)C=NNC(=O)CSc1nnc(n1c1ccccc1)c1ccc(c(c1)OC)OC
COC1=C(C=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NN=CC4=CC=C(C=C4)C(=O)OC)OC
InChI=1SC27H25N5O5Sc13522141320(1523(22)362)25303127(32(25)217546821)381724(33)2928161891119(121018)26(34)373h416H17H213H3(H2933)b2816+
METHYL4((1E)2(2(5(34DIMETHOXYPHENYL)4PHENYL(124TRIAZOL3YLTHIO))ACETYLAMINO)2AZAVINYL)BENZOATE
METHYL4((E)((2((5(34DIMETHOXYPHENYL)4PHENYL124TRIAZOL3YL)SULFANYL)ACETYL)HYDRAZINYLIDENE)METHYL)BENZOATE
METHYL4((E)(2(((5(34DIMETHOXYPHENYL)4PHENYL4H124TRIAZOL3YL)SULFANYL)ACETYL)HYDRAZINYLIDENE)METHYL)BENZOATE
MFCD01841588
STK013697
ZINC000001261569
ZINC100280699
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