Vitas-M small molecule compound

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

Catalog ID
STK020931
SMILES COc1ccc(cc1)c1nnc(n1c1ccccc1)SCC(=O)N/N=C/c1ccc(cc1)C(=O)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 C26H23N5O4S MW 501.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N5O4S/c1-34-22-14-12-19(13-15-22)24-29-30-26(31(24)21-6-4-3-5-7-21)36-17-23(32)28-27-16-18-8-10-20(11-9-18)25(33)35-2/h3-16H,17H2,1-2H3,(H,28,32)/b27-16+
InChIKey
KJYRAECXTFURKE-JVWAILMASA-N
Synonyms
314288-80-7
(E)methyl4((2(2((5(4methoxyphenyl)4phenyl4H124triazol3yl)thio)acetyl)hydrazono)methyl)benzoate
314288807
COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NN=CC4=CC=C(C=C4)C(=O)OC
COc1ccc(cc1)c1nnc(n1c1ccccc1)SCC(=O)NN=Cc1ccc(cc1)C(=O)OC
InChI=1SC26H23N5O4Sc13422141219(131522)24293026(31(24)216435721)361723(32)2827161881020(11918)25(33)352h316H17H212H3(H2832)b2716+
METHYL4((E)((2((5(4METHOXYPHENYL)4PHENYL124TRIAZOL3YL)SULFANYL)ACETYL)HYDRAZINYLIDENE)METHYL)BENZOATE
METHYL4((E)(2(((5(4METHOXYPHENYL)4PHENYL4H124TRIAZOL3YL)SULFANYL)ACETYL)HYDRAZINYLIDENE)METHYL)BENZOATE
MFCD01586766
STK020931
ZINC000001248192
ZINC33330171

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Available files

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