Vitas-M small molecule compound

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

Catalog ID
STL348403
SMILES CCOC(=O)/C(=N/O)/C(=N/NC(=O)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2)/C

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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 C18H22N4O7S MW 438.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N4O7S/c1-4-29-18(26)13(22-27)9(2)20-21-15(24)14(23)19-16-12(17(25)28-3)10-7-5-6-8-11(10)30-16/h27H,4-8H2,1-3H3,(H,19,23)(H,21,24)/b20-9+,22-13+
InChIKey
KPZCSIYFGPAZGF-GNRRCFQUSA-N
Synonyms
862128-51-6
862128516
CCOC(=O)C(=NO)C(=NNC(=O)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2)C
methyl2((((2E)2((3E)4ethoxy3(hydroxyimino)4oxobutan2ylidene)hydrazinyl)(oxo)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2(2((E)2((E)4ethoxy3(hydroxyimino)4oxobutan2ylidene)hydrazinyl)2oxoacetamido)4567tetrahydrobenzo(b)thiophene3carboxylate
MFCD05687558
ZINC000013805641

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Available files

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