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-(4-methylphenyl)acetamide

Catalog ID
STK702488
SMILES CCCCC(CN1C(=S)S/C(=C\2/c3ccccc3N(C2=O)CC(=O)Nc2ccc(cc2)C)/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 C28H31N3O3S2 MW 521.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O3S2/c1-4-6-9-19(5-2)16-31-27(34)25(36-28(31)35)24-21-10-7-8-11-22(21)30(26(24)33)17-23(32)29-20-14-12-18(3)13-15-20/h7-8,10-15,19H,4-6,9,16-17H2,1-3H3,(H,29,32)/b25-24-
InChIKey
UIXSESDTQYUVKC-IZHYLOQSSA-N
Synonyms

(Z)2(3(3(2ethylhexyl)4oxo2thioxothiazolidin5ylidene)2oxoindolin1yl)N(ptolyl)acetamide
2((3Z)3(3(2ETHYLHEXYL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)2OXOINDOL1YL)N(4METHYLPHENYL)ACETAMIDE
2((3Z)3(3(2ethylhexyl)4oxo2thioxo13thiazolidin5ylidene)2oxo23dihydro1Hindol1yl)N(4methylphenyl)acetamide
CCCCC(CC)CN1C(=O)C(=C2C3=CC=CC=C3N(C2=O)CC(=O)NC4=CC=C(C=C4)C)SC1=S
CCCCC(CN1C(=S)SC(=C2c3ccccc3N(C2=O)CC(=O)Nc2ccc(cc2)C)C1=O)CC
InChI=1SC28H31N3O3S2c146919(52)163127(34)25(3628(31)35)242110781122(21)30(26(24)33)1723(32)2920141218(3)131520h78101519H4691617H213H3(H2932)b2524
MFCD02997265
ZINC000008836484
ZINC000008836485

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Available files

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