Vitas-M small molecule compound

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

Catalog ID
STK096364
SMILES O=C(CSc1nnc(n1c1ccc(cc1)Cl)c1ccc(cc1)Cl)N/N=C\c1cccc(c1)O

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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 C23H17Cl2N5O2S MW 498.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17Cl2N5O2S/c24-17-6-4-16(5-7-17)22-28-29-23(30(22)19-10-8-18(25)9-11-19)33-14-21(32)27-26-13-15-2-1-3-20(31)12-15/h1-13,31H,14H2,(H,27,32)/b26-13-
InChIKey
AWDQLJUUPPAUMX-ZMFRSBBQSA-N
Synonyms

(E)2((45bis(4chlorophenyl)4H124triazol3yl)thio)N(3hydroxybenzylidene)acetohydrazide
2((45BIS(4CHLOROPHENYL)124TRIAZOL3YL)SULFANYL)N((Z)(3HYDROXYPHENYL)METHYLIDENEAMINO)ACETAMIDE
2((45BIS(4CHLOROPHENYL)4H124TRIAZOL3YL)SULFANYL)N((Z)(3HYDROXYPHENYL)METHYLIDENE)ACETOHYDRAZIDE
C1=CC(=CC(=C1)O)C=NNC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl
InChI=1SC23H17Cl2N5O2Sc24176416(5717)22282923(30(22)1910818(25)91119)331421(32)2726131521320(31)1215h11331H14H2(H2732)b2613
MFCD03220881
N((1Z)2(3HYDROXYPHENYL)1AZAVINYL)2(45BIS(4CHLOROPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
O=C(CSc1nnc(n1c1ccc(cc1)Cl)c1ccc(cc1)Cl)NN=Cc1cccc(c1)O
STK096364
ZINC000030732593
ZINC02206119
ZINC2206119

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Available files

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