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-methylphenyl)acetamide

Catalog ID
STK814226
SMILES CCCCC(CN1C(=S)S/C(=C\2/c3ccccc3N(C2=O)CC(=O)Nc2ccccc2C)/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/c1-4-6-12-19(5-2)16-31-27(34)25(36-28(31)35)24-20-13-8-10-15-22(20)30(26(24)33)17-23(32)29-21-14-9-7-11-18(21)3/h7-11,13-15,19H,4-6,12,16-17H2,1-3H3,(H,29,32)/b25-24-
InChIKey
MHJDXJMPHPLCAO-IZHYLOQSSA-N
Synonyms
618079-47-3
2((3Z)3(3(2ETHYLHEXYL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)2OXOINDOL1YL)N(2METHYLPHENYL)ACETAMIDE
2((3Z)3(3(2ethylhexyl)4oxo2thioxo13thiazolidin5ylidene)2oxo23dihydro1Hindol1yl)N(2methylphenyl)acetamide
2(3(3(2ETHYLHEXYL)4OXO2THIOXOTHIAZOLIDIN5YLIDENE)2OXOINDOLIN1YL)N(OTOLYL)ACETAMIDE
618079473
CCCCC(CC)CN1C(=O)C(=C2C3=CC=CC=C3N(C2=O)CC(=O)NC4=CC=CC=C4C)SC1=S
CCCCC(CN1C(=S)SC(=C2c3ccccc3N(C2=O)CC(=O)Nc2ccccc2C)C1=O)CC
InChI=1SC28H31N3O3S2c1461219(52)163127(34)25(3628(31)35)2420138101522(20)30(26(24)33)1723(32)292114971118(21)3h711131519H46121617H213H3(H2932)b2524
MFCD04442039
ZINC000016730845
ZINC000016730848

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Available files

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