Vitas-M small molecule compound

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

Catalog ID
STK110275
SMILES COc1ccc(cc1)n1c(SCC(=O)N/N=C/c2ccc(cc2)C(=O)OC)nnc1c1ccc(cc1)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/c1-35-22-12-8-19(9-13-22)25-30-31-27(32(25)21-10-14-23(36-2)15-11-21)38-17-24(33)29-28-16-18-4-6-20(7-5-18)26(34)37-3/h4-16H,17H2,1-3H3,(H,29,33)/b28-16+
InChIKey
FOSNKCFZLSVWHQ-LQKURTRISA-N
Synonyms
406202-98-0
(E)methyl4((2(2((45bis(4methoxyphenyl)4H124triazol3yl)thio)acetyl)hydrazono)methyl)benzoate
406202980
COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC(=O)NN=CC4=CC=C(C=C4)C(=O)OC
COc1ccc(cc1)n1c(SCC(=O)NN=Cc2ccc(cc2)C(=O)OC)nnc1c1ccc(cc1)OC
InChI=1SC27H25N5O5Sc1352212819(91322)25303127(32(25)21101423(362)151121)381724(33)292816184620(7518)26(34)373h416H17H213H3(H2933)b2816+
METHYL4((E)((2((45BIS(4METHOXYPHENYL)124TRIAZOL3YL)SULFANYL)ACETYL)HYDRAZINYLIDENE)METHYL)BENZOATE
METHYL4((E)(2(((45BIS(4METHOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)ACETYL)HYDRAZINYLIDENE)METHYL)BENZOATE
MFCD03091492
ZINC000001247001
ZINC101514472

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Available files

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