Vitas-M small molecule compound

N-[(2Z)-5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]-3,4,5-trimethoxybenzamide

Catalog ID
STK569291
SMILES COc1cc(cc(c1OC)OC)C(=O)/N=c\1/[nH]nc(s1)c1ccc(cc1)C(C)(C)C

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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 C22H25N3O4S MW 427.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N3O4S/c1-22(2,3)15-9-7-13(8-10-15)20-24-25-21(30-20)23-19(26)14-11-16(27-4)18(29-6)17(12-14)28-5/h7-12H,1-6H3,(H,23,25,26)
InChIKey
JRFKGSKCIBEAQW-UHFFFAOYSA-N
Synonyms
714247-79-7
714247797
COc1cc(cc(c1OC)OC)C(=O)N=c1(nH)nc(s1)c1ccc(cc1)C(C)(C)C
MFCD05731431
ZINC000009498524

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Available files

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