Vitas-M small molecule compound

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

Catalog ID
STL042579
SMILES CCOc1cc(cc(c1OCC)OCC)C(=O)/N=c\1/[nH]nc(s1)C1CCCCC1

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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 C21H29N3O4S MW 419.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H29N3O4S/c1-4-26-16-12-15(13-17(27-5-2)18(16)28-6-3)19(25)22-21-24-23-20(29-21)14-10-8-7-9-11-14/h12-14H,4-11H2,1-3H3,(H,22,24,25)
InChIKey
BRKSTLUMOOXEIS-UHFFFAOYSA-N
Synonyms
626207-23-6
626207236
CCOc1cc(cc(c1OCC)OCC)C(=O)N=c1(nH)nc(s1)C1CCCCC1
MFCD05732768
ZINC000001884247

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Available files

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