Vitas-M small molecule compound

N-(2,5-dimethylphenyl)-2-[(3Z)-3-(3-octyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-2-oxo-2,3-dihydro-1H-indol-1-yl]acetamide

Catalog ID
STK880606
SMILES CCCCCCCCN1C(=S)S/C(=C\2/c3ccccc3N(C2=O)CC(=O)Nc2cc(C)ccc2C)/C1=O

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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/c1-4-5-6-7-8-11-16-31-28(35)26(37-29(31)36)25-21-12-9-10-13-23(21)32(27(25)34)18-24(33)30-22-17-19(2)14-15-20(22)3/h9-10,12-15,17H,4-8,11,16,18H2,1-3H3,(H,30,33)/b26-25-
InChIKey
UUELOHLWEAPFCI-QPLCGJKRSA-N
Synonyms
617694-04-9
617694049
CCCCCCCCN1C(=O)C(=C2C3=CC=CC=C3N(C2=O)CC(=O)NC4=C(C=CC(=C4)C)C)SC1=S
CCCCCCCCN1C(=S)SC(=C2c3ccccc3N(C2=O)CC(=O)Nc2cc(C)ccc2C)C1=O
InChI=1SC29H33N3O3S2c14567811163128(35)26(3729(31)36)2521129101323(21)32(27(25)34)1824(33)30221719(2)141520(22)3h910121517H48111618H213H3(H3033)b2625
MFCD04441239
N(25DIMETHYLPHENYL)2((3Z)3(3OCTYL4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)2OXOINDOL1YL)ACETAMIDE
N(25dimethylphenyl)2((3Z)3(3octyl4oxo2thioxo13thiazolidin5ylidene)2oxo23dihydro1Hindol1yl)acetamide
N(25DIMETHYLPHENYL)2(3(3OCTYL4OXO2THIOXOTHIAZOLIDIN5YLIDENE)2OXOINDOLIN1YL)ACETAMIDE
ZINC000100870945
ZINC100870945

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Available files

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