Vitas-M small molecule compound

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

Catalog ID
STK104245
SMILES O=C(CSc1nnc(s1)SCc1ccccc1Cl)N/N=C\c1ccc(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 C19H15ClN4O3S3 MW 479.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15ClN4O3S3/c20-15-4-2-1-3-14(15)10-28-18-23-24-19(30-18)29-11-16(25)22-21-9-12-5-7-13(8-6-12)17(26)27/h1-9H,10-11H2,(H,22,25)(H,26,27)/b21-9-
InChIKey
SJTMVFFTLBNMBB-NKVSQWTQSA-N
Synonyms

(E)4((2(2((5((2chlorobenzyl)thio)134thiadiazol2yl)thio)acetyl)hydrazono)methyl)benzoicacid
4((1Z)2(2(5((2CHLOROPHENYL)METHYLTHIO)(134THIADIAZOL2YLTHIO))ACETYLAMINO)2AZAVINYL)BENZOICACID
4((Z)((2((5((2CHLOROPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)SULFANYL)ACETYL)HYDRAZINYLIDENE)METHYL)BENZOICACID
4((Z)(2(((5((2CHLOROBENZYL)SULFANYL)134THIADIAZOL2YL)SULFANYL)ACETYL)HYDRAZINYLIDENE)METHYL)BENZOICACID
C1=CC=C(C(=C1)CSC2=NN=C(S2)SCC(=O)NN=CC3=CC=C(C=C3)C(=O)O)Cl
InChI=1SC19H15ClN4O3S3c2015421314(15)102818232419(3018)291116(25)22219125713(8612)17(26)27h19H1011H2(H2225)(H2627)b219
MFCD03219765
O=C(CSc1nnc(s1)SCc1ccccc1Cl)NN=Cc1ccc(cc1)C(=O)O
ZINC000030742757
ZINC1805271

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Available files

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