Vitas-M small molecule compound

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

Catalog ID
STK569989
SMILES CCOc1cc(cc(c1OCC)OCC)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 C25H31N3O4S MW 469.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31N3O4S/c1-7-30-19-14-17(15-20(31-8-2)21(19)32-9-3)22(29)26-24-28-27-23(33-24)16-10-12-18(13-11-16)25(4,5)6/h10-15H,7-9H2,1-6H3,(H,26,28,29)
InChIKey
NIWDZLHNJFWPPX-UHFFFAOYSA-N
Synonyms
714236-17-6
714236176
CCOc1cc(cc(c1OCC)OCC)C(=O)N=c1(nH)nc(s1)c1ccc(cc1)C(C)(C)C
MFCD05729067
ZINC000017208812

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Available files

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