Vitas-M small molecule compound

N-(2,4-dimethoxyphenyl)-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
STK813598
SMILES CCCCC(CN1C(=S)S/C(=C\2/c3ccccc3N(C2=O)CC(=O)Nc2ccc(cc2OC)OC)/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 C29H33N3O5S2 MW 567.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33N3O5S2/c1-5-7-10-18(6-2)16-32-28(35)26(39-29(32)38)25-20-11-8-9-12-22(20)31(27(25)34)17-24(33)30-21-14-13-19(36-3)15-23(21)37-4/h8-9,11-15,18H,5-7,10,16-17H2,1-4H3,(H,30,33)/b26-25-
InChIKey
CRISVXLZZARVPL-QPLCGJKRSA-N
Synonyms

CCCCC(CC)CN1C(=O)C(=C2C3=CC=CC=C3N(C2=O)CC(=O)NC4=C(C=C(C=C4)OC)OC)SC1=S
CCCCC(CN1C(=S)SC(=C2c3ccccc3N(C2=O)CC(=O)Nc2ccc(cc2OC)OC)C1=O)CC
InChI=1SC29H33N3O5S2c1571018(62)163228(35)26(3929(32)38)252011891222(20)31(27(25)34)1724(33)3021141319(363)1523(21)374h89111518H57101617H214H3(H3033)b2625
MFCD04441668
N(24DIMETHOXYPHENYL)2((3Z)3(3(2ETHYLHEXYL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)2OXOINDOL1YL)ACETAMIDE
N(24dimethoxyphenyl)2((3Z)3(3(2ethylhexyl)4oxo2thioxo13thiazolidin5ylidene)2oxo23dihydro1Hindol1yl)acetamide
N(24DIMETHOXYPHENYL)2(3(3(2ETHYLHEXYL)4OXO2THIOXOTHIAZOLIDIN5YLIDENE)2OXOINDOLIN1YL)ACETAMIDE
ZINC000100871587
ZINC000100871589

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Available files

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