Vitas-M small molecule compound

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

Catalog ID
STK107556
SMILES COc1ccccc1/C=N/NC(=O)CSc1nnc(n1c1ccc(cc1)Cl)c1ccc(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 C25H22ClN5O2S MW 492.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22ClN5O2S/c1-17-7-9-18(10-8-17)24-29-30-25(31(24)21-13-11-20(26)12-14-21)34-16-23(32)28-27-15-19-5-3-4-6-22(19)33-2/h3-15H,16H2,1-2H3,(H,28,32)/b27-15+
InChIKey
ITDMBJMBPZZNSZ-JFLMPSFJSA-N
Synonyms
497950-48-8
(E)2((4(4chlorophenyl)5(ptolyl)4H124triazol3yl)thio)N(2methoxybenzylidene)acetohydrazide
2((4(4CHLOROPHENYL)5(4METHYLPHENYL)124TRIAZOL3YL)SULFANYL)N((E)(2METHOXYPHENYL)METHYLIDENEAMINO)ACETAMIDE
2((4(4CHLOROPHENYL)5(4METHYLPHENYL)4H124TRIAZOL3YL)SULFANYL)N((E)(2METHOXYPHENYL)METHYLIDENE)ACETOHYDRAZIDE
497950488
CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC(=O)NN=CC4=CC=CC=C4OC
COc1ccccc1C=NNC(=O)CSc1nnc(n1c1ccc(cc1)Cl)c1ccc(cc1)C
InChI=1SC25H22ClN5O2Sc1177918(10817)24293025(31(24)21131120(26)121421)341623(32)28271519534622(19)332h315H16H212H3(H2832)b2715+
MFCD03220180
N((1E)2(2METHOXYPHENYL)1AZAVINYL)2(4(4CHLOROPHENYL)5(4METHYLPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000008817636
ZINC33345065

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Available files

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