Vitas-M small molecule compound

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

Catalog ID
STL040692
SMILES CCOc1cc(cc(c1OCC)OCC)C(=O)/N=c\1/[nH]nc(s1)/C=C/c1ccc(cc1)Cl

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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 C23H24ClN3O4S MW 473.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24ClN3O4S/c1-4-29-18-13-16(14-19(30-5-2)21(18)31-6-3)22(28)25-23-27-26-20(32-23)12-9-15-7-10-17(24)11-8-15/h7-14H,4-6H2,1-3H3,(H,25,27,28)/b12-9+
InChIKey
FHCIYYZROHHDEA-FMIVXFBMSA-N
Synonyms
714246-80-7
714246807
CCOc1cc(cc(c1OCC)OCC)C(=O)N=c1(nH)nc(s1)C=Cc1ccc(cc1)Cl
MFCD05731267
ZINC000009350563

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Available files

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