Vitas-M small molecule compound

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

Catalog ID
STK451239
SMILES CCCOC(=O)c1c(scc1c1ccc(cc1)OC)NC(=O)c1cccc(c1)[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 C22H20N2O6S MW 440.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O6S/c1-3-11-30-22(26)19-18(14-7-9-17(29-2)10-8-14)13-31-21(19)23-20(25)15-5-4-6-16(12-15)24(27)28/h4-10,12-13H,3,11H2,1-2H3,(H,23,25)
InChIKey
OUIALNQIVHOGSA-UHFFFAOYSA-N
Synonyms

CCCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)OC)NC(=O)C3=CC(=CC=C3)(N+)(=O)(O)
CCCOC(=O)c1c(scc1c1ccc(cc1)OC)NC(=O)c1cccc(c1)(N+)(=O)(O)
InChI=1SC22H20N2O6Sc13113022(26)1918(147917(292)10814)133121(19)2320(25)1554616(1215)24(27)28h4101213H311H212H3(H2325)
MFCD03072465
propyl4(4methoxyphenyl)2(((3nitrophenyl)carbonyl)amino)thiophene3carboxylate
PROPYL4(4METHOXYPHENYL)2((3NITROBENZOYL)AMINO)THIOPHENE3CARBOXYLATE
PROPYL4(4METHOXYPHENYL)2((3NITROPHENYL)CARBONYLAMINO)THIOPHENE3CARBOXYLATE
ZINC000002102709
ZINC02102709
ZINC2102709

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Available files

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