Vitas-M small molecule compound

dimethyl 2,2'-{1,3,4-thiadiazole-2,5-diylbis[sulfanediyl(1-oxoethane-2,1-diyl)imino]}dibenzoate

Catalog ID
STK733340
SMILES COC(=O)c1ccccc1NC(=O)CSc1nnc(s1)SCC(=O)Nc1ccccc1C(=O)OC

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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 C22H20N4O6S3 MW 532.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O6S3/c1-31-19(29)13-7-3-5-9-15(13)23-17(27)11-33-21-25-26-22(35-21)34-12-18(28)24-16-10-6-4-8-14(16)20(30)32-2/h3-10H,11-12H2,1-2H3,(H,23,27)(H,24,28)
InChIKey
DQZJURMCVHIENK-UHFFFAOYSA-N
Synonyms
309286-08-6
309286086
COC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=C(S2)SCC(=O)NC3=CC=CC=C3C(=O)OC
dimethyl22((22((134thiadiazole25diyl)bis(sulfanediyl))bis(acetyl))bis(azanediyl))dibenzoate
dimethyl22(134thiadiazole25diylbis(sulfanediyl(1oxoethane21diyl)imino))dibenzoate
InChI=1SC22H20N4O6S3c13119(29)13735915(13)2317(27)113321252622(3521)341218(28)24161064814(16)20(30)322h310H1112H212H3(H2327)(H2428)
METHYL2((2((5(2(2METHOXYCARBONYLANILINO)2OXOETHYL)SULFANYL134THIADIAZOL2YL)SULFANYL)ACETYL)AMINO)BENZOATE
MFCD00321593
ZINC000006904244
ZINC6904244

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Available files

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