Vitas-M small molecule compound

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

Catalog ID
STK814115
SMILES CCCCC(CN1C(=S)S/C(=C\2/c3ccccc3N(C2=O)CC(=O)Nc2ccccc2Cl)/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 C27H28ClN3O3S2 MW 542.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28ClN3O3S2/c1-3-5-10-17(4-2)15-31-26(34)24(36-27(31)35)23-18-11-6-9-14-21(18)30(25(23)33)16-22(32)29-20-13-8-7-12-19(20)28/h6-9,11-14,17H,3-5,10,15-16H2,1-2H3,(H,29,32)/b24-23-
InChIKey
LDFILEDHNXYXBC-VHXPQNKSSA-N
Synonyms
618077-02-4
618077024
CCCCC(CC)CN1C(=O)C(=C2C3=CC=CC=C3N(C2=O)CC(=O)NC4=CC=CC=C4Cl)SC1=S
CCCCC(CN1C(=S)SC(=C2c3ccccc3N(C2=O)CC(=O)Nc2ccccc2Cl)C1=O)CC
InChI=1SC27H28ClN3O3S2c1351017(42)153126(34)24(3627(31)35)231811691421(18)30(25(23)33)1622(32)292013871219(20)28h69111417H35101516H212H3(H2932)b2423
MFCD04441979
N(2CHLOROPHENYL)2((3Z)3(3(2ETHYLHEXYL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)2OXOINDOL1YL)ACETAMIDE
N(2chlorophenyl)2((3Z)3(3(2ethylhexyl)4oxo2thioxo13thiazolidin5ylidene)2oxo23dihydro1Hindol1yl)acetamide
N(2CHLOROPHENYL)2(3(3(2ETHYLHEXYL)4OXO2THIOXOTHIAZOLIDIN5YLIDENE)2OXOINDOLIN1YL)ACETAMIDE
ZINC000100872091
ZINC000100872092

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Available files

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