Vitas-M small molecule compound

propyl 4-(2,5-dimethylphenyl)-2-{[(2-nitrophenyl)carbonyl]amino}thiophene-3-carboxylate

Catalog ID
STK420184
SMILES CCCOC(=O)c1c(scc1c1cc(C)ccc1C)NC(=O)c1ccccc1[N+](=O)[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 C23H22N2O5S MW 438.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O5S/c1-4-11-30-23(27)20-18(17-12-14(2)9-10-15(17)3)13-31-22(20)24-21(26)16-7-5-6-8-19(16)25(28)29/h5-10,12-13H,4,11H2,1-3H3,(H,24,26)
InChIKey
FGQUUAZRJXVXTK-UHFFFAOYSA-N
Synonyms
444932-25-6
444932256
CCCOC(=O)C1=C(SC=C1C2=C(C=CC(=C2)C)C)NC(=O)C3=CC=CC=C3(N+)(=O)(O)
CCCOC(=O)c1c(scc1c1cc(C)ccc1C)NC(=O)c1ccccc1(N+)(=O)(O)
InChI=1SC23H22N2O5Sc14113023(27)2018(171214(2)91015(17)3)133122(20)2421(26)16756819(16)25(28)29h5101213H411H213H3(H2426)
MFCD02372942
propyl4(25dimethylphenyl)2(((2nitrophenyl)carbonyl)amino)thiophene3carboxylate
PROPYL4(25DIMETHYLPHENYL)2((2NITROBENZOYL)AMINO)3THIOPHENECARBOXYLATE
PROPYL4(25DIMETHYLPHENYL)2((2NITROBENZOYL)AMINO)THIOPHENE3CARBOXYLATE
ZINC000002090222
ZINC02090222
ZINC2090222

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Available files

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