Vitas-M small molecule compound

N-(2,5-dimethylphenyl)-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
STK813584
SMILES CCCCC(CN1C(=S)S/C(=C\2/c3ccccc3N(C2=O)CC(=O)Nc2cc(C)ccc2C)/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/c1-5-7-10-20(6-2)16-32-28(35)26(37-29(32)36)25-21-11-8-9-12-23(21)31(27(25)34)17-24(33)30-22-15-18(3)13-14-19(22)4/h8-9,11-15,20H,5-7,10,16-17H2,1-4H3,(H,30,33)/b26-25-
InChIKey
HSMOBWDFUYUIOJ-QPLCGJKRSA-N
Synonyms
617698-32-5
617698325
CCCCC(CC)CN1C(=O)C(=C2C3=CC=CC=C3N(C2=O)CC(=O)NC4=C(C=CC(=C4)C)C)SC1=S
CCCCC(CN1C(=S)SC(=C2c3ccccc3N(C2=O)CC(=O)Nc2cc(C)ccc2C)C1=O)CC
InChI=1SC29H33N3O3S2c1571020(62)163228(35)26(3729(32)36)252111891223(21)31(27(25)34)1724(33)30221518(3)131419(22)4h89111520H57101617H214H3(H3033)b2625
MFCD04441655
N(25DIMETHYLPHENYL)2((3Z)3(3(2ETHYLHEXYL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)2OXOINDOL1YL)ACETAMIDE
N(25dimethylphenyl)2((3Z)3(3(2ethylhexyl)4oxo2thioxo13thiazolidin5ylidene)2oxo23dihydro1Hindol1yl)acetamide
N(25DIMETHYLPHENYL)2(3(3(2ETHYLHEXYL)4OXO2THIOXOTHIAZOLIDIN5YLIDENE)2OXOINDOLIN1YL)ACETAMIDE
ZINC000100871575
ZINC000100871577

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Available files

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