Vitas-M small molecule compound

2-(benzylsulfanyl)-5-[(4-nitrobenzyl)sulfanyl]-1,3,4-thiadiazole

Catalog ID
STK548182
SMILES [O-][N+](=O)c1ccc(cc1)CSc1nnc(s1)SCc1ccccc1

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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 C16H13N3O2S3 MW 375.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13N3O2S3/c20-19(21)14-8-6-13(7-9-14)11-23-16-18-17-15(24-16)22-10-12-4-2-1-3-5-12/h1-9H,10-11H2
InChIKey
GVQVPWIXBYSXAK-UHFFFAOYSA-N
Synonyms
477330-55-5
(O)(N+)(=O)c1ccc(cc1)CSc1nnc(s1)SCc1ccccc1
2((4NITROPHENYL)METHYLSULFANYL)5(PHENYLMETHYLSULFANYL)134THIADIAZOLE
2((4NITROPHENYL)METHYLTHIO)5(PHENYLMETHYLTHIO)134THIADIAZOLE
2(BENZYLSULFANYL)5(((4NITROPHENYL)METHYL)SULFANYL)134THIADIAZOLE
2(benzylsulfanyl)5((4nitrobenzyl)sulfanyl)134thiadiazole
2(BENZYLTHIO)5((4NITROBENZYL)THIO)134THIADIAZOLE
2BENZYLSULFANYL5((4NITROPHENYL)METHYLSULFANYL)134THIADIAZOLE
2BENZYLSULFANYL5(4NITROBENZYLSULFANYL)(134)THIADIAZOLE
477330555
C1=CC=C(C=C1)CSC2=NN=C(S2)SCC3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC16H13N3O2S3c2019(21)148613(7914)112316181715(2416)2210124213512h19H1011H2
MFCD03223712
ZINC000001088240
ZINC01088240
ZINC1088240

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Available files

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