Vitas-M small molecule compound

{2-[(E)-{2-[({5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-4-ium-2-yl}sulfanyl)acetyl]hydrazinylidene}methyl]phenoxy}acetate

Catalog ID
STL147854
SMILES O=C(CSc1n[nH+]c(s1)SCc1ccccc1Cl)N/N=C/c1ccccc1OCC(=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 C20H17ClN4O4S3 MW 509.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17ClN4O4S3/c21-15-7-3-1-6-14(15)11-30-19-24-25-20(32-19)31-12-17(26)23-22-9-13-5-2-4-8-16(13)29-10-18(27)28/h1-9H,10-12H2,(H,23,26)(H,27,28)/b22-9+
InChIKey
LRHNRHGBOCURQB-LSFURLLWSA-N
Synonyms
380433-49-8
(2((E)(2(((5((2chlorobenzyl)sulfanyl)134thiadiazol4ium2yl)sulfanyl)acetyl)hydrazinylidene)methyl)phenoxy)acetate
2(2((E)((2((5((2CHLOROPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)SULFANYL)ACETYL)HYDRAZINYLIDENE)METHYL)PHENOXY)ACETICACID
380433498
C1=CC=C(C(=C1)CSC2=NN=C(S2)SCC(=O)NN=CC3=CC=CC=C3OCC(=O)O)Cl
InChI=1SC20H17ClN4O4S3c2115731614(15)113019242520(3219)311217(26)2322913524816(13)291018(27)28h19H1012H2(H2326)(H2728)b229+
MFCD03297545
O=C(CSc1n(nH+)c(s1)SCc1ccccc1Cl)NN=Cc1ccccc1OCC(=O)(O)
ZINC000002276659
ZINC19826283

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Available files

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