Vitas-M small molecule compound

2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2-chloro-6-fluorophenyl)methylidene]acetohydrazide

Catalog ID
STK017283
SMILES O=C(CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)C)N/N=C/c1c(F)cccc1Cl

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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 C25H21ClFN5OS MW 493.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21ClFN5OS/c1-16-6-10-18(11-7-16)24-30-31-25(32(24)19-12-8-17(2)9-13-19)34-15-23(33)29-28-14-20-21(26)4-3-5-22(20)27/h3-14H,15H2,1-2H3,(H,29,33)/b28-14+
InChIKey
CTXBSYGRMRQBRT-CCVNUDIWSA-N
Synonyms
498536-24-6
(E)N(2chloro6fluorobenzylidene)2((45diptolyl4H124triazol3yl)thio)acetohydrazide
2((45BIS(4METHYLPHENYL)124TRIAZOL3YL)SULFANYL)N((E)(2CHLORO6FLUOROPHENYL)METHYLIDENEAMINO)ACETAMIDE
2((45BIS(4METHYLPHENYL)4H124TRIAZOL3YL)SULFANYL)N((E)(2CHLORO6FLUOROPHENYL)METHYLIDENE)ACETOHYDRAZIDE
498536246
CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)C)SCC(=O)NN=CC4=C(C=CC=C4Cl)F
InChI=1SC25H21ClFN5OSc11661018(11716)24303125(32(24)1912817(2)91319)341523(33)2928142021(26)43522(20)27h314H15H212H3(H2933)b2814+
MFCD03091534
N((1E)2(2CHLORO6FLUOROPHENYL)1AZAVINYL)2(45BIS(4METHYLPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
O=C(CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)C)NN=Cc1c(F)cccc1Cl
STK017283
ZINC000001760780
ZINC33343023

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Available files

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