Vitas-M small molecule compound

(2-{(E)-[2-({[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}phenoxy)acetic acid

Catalog ID
STK108140
SMILES CCn1c(SCC(=O)N/N=C/c2ccccc2OCC(=O)O)nnc1c1ccc(cc1)Cl

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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 C21H20ClN5O4S MW 473.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClN5O4S/c1-2-27-20(14-7-9-16(22)10-8-14)25-26-21(27)32-13-18(28)24-23-11-15-5-3-4-6-17(15)31-12-19(29)30/h3-11H,2,12-13H2,1H3,(H,24,28)(H,29,30)/b23-11+
InChIKey
BCLHOOJNKFUUIQ-FOKLQQMPSA-N
Synonyms

(2((E)(2(((5(4CHLOROPHENYL)4ETHYL4H124TRIAZOL3YL)SULFANYL)ACETYL)HYDRAZINYLIDENE)METHYL)PHENOXY)ACETICACID
(Z)2(2((2(2((5(4chlorophenyl)4ethyl4H124triazol3yl)thio)acetyl)hydrazono)methyl)phenoxy)aceticacid
2(2((1E)2(2(5(4CHLOROPHENYL)4ETHYL(124TRIAZOL3YLTHIO))ACETYLAMINO)2AZAVINYL)PHENOXY)ACETICACID
2(2((E)((2((5(4CHLOROPHENYL)4ETHYL124TRIAZOL3YL)SULFANYL)ACETYL)HYDRAZINYLIDENE)METHYL)PHENOXY)ACETICACID
CCN1C(=NN=C1SCC(=O)NN=CC2=CC=CC=C2OCC(=O)O)C3=CC=C(C=C3)Cl
CCn1c(SCC(=O)NN=Cc2ccccc2OCC(=O)O)nnc1c1ccc(cc1)Cl
InChI=1SC21H20ClN5O4Sc122720(147916(22)10814)252621(27)321318(28)24231115534617(15)311219(29)30h311H21213H21H3(H2428)(H2930)b2311+
MFCD03218809
ZINC000001473945
ZINC13596324

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Available files

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