Vitas-M small molecule compound

2-{[4-(4-methoxyphenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(Z)-(2-methylphenyl)methylidene]acetohydrazide

Catalog ID
STK101767
SMILES COc1ccc(cc1)n1c(SCC(=O)N/N=C\c2ccccc2C)nnc1c1ccc(cc1)C

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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 C26H25N5O2S MW 471.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N5O2S/c1-18-8-10-20(11-9-18)25-29-30-26(31(25)22-12-14-23(33-3)15-13-22)34-17-24(32)28-27-16-21-7-5-4-6-19(21)2/h4-16H,17H2,1-3H3,(H,28,32)/b27-16-
InChIKey
PKFDLMQDHRYUJJ-YUMHPJSZSA-N
Synonyms

(E)2((4(4methoxyphenyl)5(ptolyl)4H124triazol3yl)thio)N(2methylbenzylidene)acetohydrazide
2((4(4METHOXYPHENYL)5(4METHYLPHENYL)124TRIAZOL3YL)SULFANYL)N((Z)(2METHYLPHENYL)METHYLIDENEAMINO)ACETAMIDE
2((4(4METHOXYPHENYL)5(4METHYLPHENYL)4H124TRIAZOL3YL)SULFANYL)N((Z)(2METHYLPHENYL)METHYLIDENE)ACETOHYDRAZIDE
CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC(=O)NN=CC4=CC=CC=C4C
COc1ccc(cc1)n1c(SCC(=O)NN=Cc2ccccc2C)nnc1c1ccc(cc1)C
InChI=1SC26H25N5O2Sc11881020(11918)25293026(31(25)22121423(333)151322)341724(32)28271621754619(21)2h416H17H213H3(H2832)b2716
MFCD03220596
N((1Z)2(2METHYLPHENYL)1AZAVINYL)2(4(4METHOXYPHENYL)5(4METHYLPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000009836747
ZINC01789160
ZINC1789160

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Available files

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