Vitas-M small molecule compound

methyl 2-{[(2-nitrophenyl)carbonyl]amino}-5-phenylthiophene-3-carboxylate

Catalog ID
STK471587
SMILES COC(=O)c1cc(sc1NC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1

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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 C19H14N2O5S MW 382.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14N2O5S/c1-26-19(23)14-11-16(12-7-3-2-4-8-12)27-18(14)20-17(22)13-9-5-6-10-15(13)21(24)25/h2-11H,1H3,(H,20,22)
InChIKey
PNCNQAJZPGWQTI-UHFFFAOYSA-N
Synonyms

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3(N+)(=O)(O)
COC(=O)c1cc(sc1NC(=O)c1ccccc1(N+)(=O)(O))c1ccccc1
InChI=1SC19H14N2O5Sc12619(23)141116(127324812)2718(14)2017(22)139561015(13)21(24)25h211H1H3(H2022)
methyl2(((2nitrophenyl)carbonyl)amino)5phenylthiophene3carboxylate
METHYL2((2NITROBENZOYL)AMINO)5PHENYLTHIOPHENE3CARBOXYLATE
METHYL2((2NITROPHENYL)CARBONYLAMINO)5PHENYLTHIOPHENE3CARBOXYLATE
MFCD07358235
ZINC000004750283
ZINC04750283
ZINC4750283

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Available files

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