Vitas-M small molecule compound

2-{(3Z)-3-[3-(2-ethylhexyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-2-oxo-2,3-dihydro-1H-indol-1-yl}-N-(2-phenylethyl)acetamide

Catalog ID
STK814706
SMILES CCCCC(CN1C(=S)S/C(=C\2/c3ccccc3N(C2=O)CC(=O)NCCc2ccccc2)/C1=O)CC

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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 C29H33N3O3S2 MW 535.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33N3O3S2/c1-3-5-11-20(4-2)18-32-28(35)26(37-29(32)36)25-22-14-9-10-15-23(22)31(27(25)34)19-24(33)30-17-16-21-12-7-6-8-13-21/h6-10,12-15,20H,3-5,11,16-19H2,1-2H3,(H,30,33)/b26-25-
InChIKey
OYRUIIUYOLCKRT-QPLCGJKRSA-N
Synonyms

2((3Z)3(3(2ethylhexyl)4oxo2sulfanylidene13thiazolidin5ylidene)2oxoindol1yl)N(2phenylethyl)acetamide
2((3Z)3(3(2ETHYLHEXYL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)2OXOINDOL1YL)NPHENETHYLACETAMIDE
2((3Z)3(3(2ethylhexyl)4oxo2thioxo13thiazolidin5ylidene)2oxo23dihydro1Hindol1yl)N(2phenylethyl)acetamide
CCCCC(CC)CN1C(=O)C(=C2C3=CC=CC=C3N(C2=O)CC(=O)NCCC4=CC=CC=C4)SC1=S
CCCCC(CN1C(=S)SC(=C2c3ccccc3N(C2=O)CC(=O)NCCc2ccccc2)C1=O)CC
InChI=1SC29H33N3O3S2c1351120(42)183228(35)26(3729(32)36)2522149101523(22)31(27(25)34)1924(33)30171621127681321h610121520H35111619H212H3(H3033)b2625
MFCD04442283
ZINC000100872853
ZINC000100872855

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Available files

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