Vitas-M small molecule compound

4-[({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)methyl]benzoic acid

Catalog ID
STK037679
SMILES Clc1ccc(cc1)CSc1nnc(s1)SCc1ccc(cc1)C(=O)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 C17H13ClN2O2S3 MW 408.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13ClN2O2S3/c18-14-7-3-12(4-8-14)10-24-17-20-19-16(25-17)23-9-11-1-5-13(6-2-11)15(21)22/h1-8H,9-10H2,(H,21,22)
InChIKey
MYDMTZZZJDSOMI-UHFFFAOYSA-N
Synonyms
499101-93-8
4(((5(((4CHLOROPHENYL)METHYL)SULFANYL)134THIADIAZOL2YL)SULFANYL)METHYL)BENZOICACID
4(((5((4CHLOROBENZYL)SULFANYL)134THIADIAZOL2YL)SULFANYL)METHYL)BENZOICACID
4(((5((4CHLOROBENZYL)THIO)134THIADIAZOL2YL)THIO)METHYL)BENZOICACID
4((5((4CHLOROPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)SULFANYLMETHYL)BENZOICACID
4((5((4CHLOROPHENYL)METHYLTHIO)134THIADIAZOL2YLTHIO)METHYL)BENZOICACID
499101938
C1=CC(=CC=C1CSC2=NN=C(S2)SCC3=CC=C(C=C3)Cl)C(=O)O
Clc1ccc(cc1)CSc1nnc(s1)SCc1ccc(cc1)C(=O)O
InChI=1SC17H13ClN2O2S3c18147312(4814)102417201916(2517)239111513(6211)15(21)22h18H910H2(H2122)
MFCD03473704
STK037679
ZINC000001753715
ZINC1753715

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Available files

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