Vitas-M small molecule compound

3,4,5-triethoxy-N-[(2E)-5-pentyl-1,3,4-thiadiazol-2(3H)-ylidene]benzamide

Catalog ID
STL053945
SMILES CCCCCc1n[nH]/c(=N\C(=O)c2cc(OCC)c(c(c2)OCC)OCC)/s1

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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 C20H29N3O4S MW 407.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H29N3O4S/c1-5-9-10-11-17-22-23-20(28-17)21-19(24)14-12-15(25-6-2)18(27-8-4)16(13-14)26-7-3/h12-13H,5-11H2,1-4H3,(H,21,23,24)
InChIKey
NXDRPKIWYXGSIM-UHFFFAOYSA-N
Synonyms
714929-32-5
714929325
CCCCCc1n(nH)c(=NC(=O)c2cc(OCC)c(c(c2)OCC)OCC)s1
MFCD05734455
ZINC000009360828

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Available files

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