Vitas-M small molecule compound

ethyl 5-benzyl-2-{[(2-methoxy-5-nitrophenyl)carbamothioyl]amino}thiophene-3-carboxylate

Catalog ID
STK457483
SMILES CCOC(=O)c1cc(sc1NC(=S)Nc1cc(ccc1OC)[N+](=O)[O-])Cc1ccccc1

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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 C22H21N3O5S2 MW 471.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O5S2/c1-3-30-21(26)17-13-16(11-14-7-5-4-6-8-14)32-20(17)24-22(31)23-18-12-15(25(27)28)9-10-19(18)29-2/h4-10,12-13H,3,11H2,1-2H3,(H2,23,24,31)
InChIKey
VOOJDYCMFNEJLK-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=C(C=CC(=C3)(N+)(=O)(O))OC
CCOC(=O)c1cc(sc1NC(=S)Nc1cc(ccc1OC)(N+)(=O)(O))Cc1ccccc1
ETHYL2((((2METHOXY5NITROPHENYL)AMINO)THIOXOMETHYL)AMINO)5BENZYLTHIOPHENE3CARBOXYLATE
ethyl5benzyl2(((2methoxy5nitrophenyl)carbamothioyl)amino)thiophene3carboxylate
ETHYL5BENZYL2((2METHOXY5NITROPHENYL)CARBAMOTHIOYLAMINO)THIOPHENE3CARBOXYLATE
InChI=1SC22H21N3O5S2c133021(26)171316(11147546814)3220(17)2422(31)23181215(25(27)28)91019(18)292h4101213H311H212H3(H2232431)
MFCD05117140
ZINC000002857750
ZINC02857750
ZINC2857750

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Available files

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