Vitas-M small molecule compound

methyl 2-({[(2E)-2-(2-hydroxy-3-methoxybenzylidene)hydrazinyl](oxo)acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog ID
STL005727
SMILES COc1cccc(c1O)/C=N/NC(=O)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2

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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 C20H21N3O6S MW 431.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O6S/c1-28-13-8-5-6-11(16(13)24)10-21-23-18(26)17(25)22-19-15(20(27)29-2)12-7-3-4-9-14(12)30-19/h5-6,8,10,24H,3-4,7,9H2,1-2H3,(H,22,25)(H,23,26)/b21-10+
InChIKey
YZDDEAJVTVLQGW-UFFVCSGVSA-N
Synonyms
846584-82-5
(E)methyl2(2(2(2hydroxy3methoxybenzylidene)hydrazinyl)2oxoacetamido)4567tetrahydrobenzo(b)thiophene3carboxylate
846584825
COc1cccc(c1O)C=NNC(=O)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2
methyl2((((2E)2(2hydroxy3methoxybenzylidene)hydrazinyl)(oxo)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD03885428
ZINC000002412552

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Available files

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