Vitas-M small molecule compound

ethyl 8-(4-ethylphenyl)-1,6-diphenyl-4-thia-1,2,6,7-tetraazaspiro[4.5]deca-2,7-diene-3-carboxylate

Catalog ID
STL330683
SMILES CCOC(=O)C1=NN(C2(S1)CCC(=NN2c1ccccc1)c1ccc(cc1)CC)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 C28H28N4O2S MW 484.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N4O2S/c1-3-21-15-17-22(18-16-21)25-19-20-28(31(29-25)23-11-7-5-8-12-23)32(24-13-9-6-10-14-24)30-26(35-28)27(33)34-4-2/h5-18H,3-4,19-20H2,1-2H3
InChIKey
QFZUFBVDISSSQH-UHFFFAOYSA-N
Synonyms

CCC1=CC=C(C=C1)C2=NN(C3(CC2)N(N=C(S3)C(=O)OCC)C4=CC=CC=C4)C5=CC=CC=C5
ethyl8(4ethylphenyl)16diphenyl4thia1267tetraazaspiro(45)deca27diene3carboxylate
ethyl8(4ethylphenyl)410diphenyl1thia34910tetrazaspiro(45)deca28diene2carboxylate
InChI=1SC28H28N4O2Sc1321151722(181621)25192028(31(2925)23117581223)32(241396101424)3026(3528)27(33)3442h518H341920H212H3
MFCD02997669
ZINC000009438813
ZINC000013810320

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Available files

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