Vitas-M small molecule compound

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

Catalog ID
STK101513
SMILES COc1ccc(cc1)c1nnc(n1c1ccc(cc1)C)SCC(=O)N/N=C\c1ccccc1C

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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/c1-18-8-12-22(13-9-18)31-25(20-10-14-23(33-3)15-11-20)29-30-26(31)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
HZKRSBPNVSSXBJ-YUMHPJSZSA-N
Synonyms

(E)2((5(4methoxyphenyl)4(ptolyl)4H124triazol3yl)thio)N(2methylbenzylidene)acetohydrazide
2((5(4METHOXYPHENYL)4(4METHYLPHENYL)124TRIAZOL3YL)SULFANYL)N((Z)(2METHYLPHENYL)METHYLIDENEAMINO)ACETAMIDE
2((5(4METHOXYPHENYL)4(4METHYLPHENYL)4H124TRIAZOL3YL)SULFANYL)N((Z)(2METHYLPHENYL)METHYLIDENE)ACETOHYDRAZIDE
CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NN=CC3=CC=CC=C3C)C4=CC=C(C=C4)OC
COc1ccc(cc1)c1nnc(n1c1ccc(cc1)C)SCC(=O)NN=Cc1ccccc1C
InChI=1SC26H25N5O2Sc11881222(13918)3125(20101423(333)151120)293026(31)341724(32)28271621754619(21)2h416H17H213H3(H2832)b2716
MFCD03220380
N((1Z)2(2METHYLPHENYL)1AZAVINYL)2(5(4METHOXYPHENYL)4(4METHYLPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000009836742
ZINC01815893
ZINC1815893

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Available files

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