Vitas-M small molecule compound

methyl 4-(3,4-dichlorophenyl)-2-{[(4-nitrophenoxy)acetyl]amino}thiophene-3-carboxylate

Catalog ID
STK316705
SMILES COC(=O)c1c(scc1c1ccc(c(c1)Cl)Cl)NC(=O)COc1ccc(cc1)[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 C20H14Cl2N2O6S MW 481.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14Cl2N2O6S/c1-29-20(26)18-14(11-2-7-15(21)16(22)8-11)10-31-19(18)23-17(25)9-30-13-5-3-12(4-6-13)24(27)28/h2-8,10H,9H2,1H3,(H,23,25)
InChIKey
DXLXPBZEDZGMRP-UHFFFAOYSA-N
Synonyms
445005-86-7
445005867
COC(=O)C1=C(SC=C1C2=CC(=C(C=C2)Cl)Cl)NC(=O)COC3=CC=C(C=C3)(N+)(=O)(O)
COC(=O)c1c(scc1c1ccc(c(c1)Cl)Cl)NC(=O)COc1ccc(cc1)(N+)(=O)(O)
InChI=1SC20H14Cl2N2O6Sc12920(26)1814(112715(21)16(22)811)103119(18)2317(25)930135312(4613)24(27)28h2810H9H21H3(H2325)
methyl4(34dichlorophenyl)2(((4nitrophenoxy)acetyl)amino)thiophene3carboxylate
METHYL4(34DICHLOROPHENYL)2((2(4NITROPHENOXY)ACETYL)AMINO)THIOPHENE3CARBOXYLATE
MFCD02607314
ZINC000002763030
ZINC02763030
ZINC2763030

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Available files

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