Vitas-M small molecule compound

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

Catalog ID
STK471785
SMILES COC(=O)c1cc(sc1NC(=O)c1ccccc1[N+](=O)[O-])C

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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 C14H12N2O5S MW 320.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H12N2O5S/c1-8-7-10(14(18)21-2)13(22-8)15-12(17)9-5-3-4-6-11(9)16(19)20/h3-7H,1-2H3,(H,15,17)
InChIKey
MVSQJNGJWPJKSG-UHFFFAOYSA-N
Synonyms

CC1=CC(=C(S1)NC(=O)C2=CC=CC=C2(N+)(=O)(O))C(=O)OC
COC(=O)c1cc(sc1NC(=O)c1ccccc1(N+)(=O)(O))C
InChI=1SC14H12N2O5Sc18710(14(18)212)13(228)1512(17)9534611(9)16(19)20h37H12H3(H1517)
methyl5methyl2(((2nitrophenyl)carbonyl)amino)thiophene3carboxylate
METHYL5METHYL2((2NITROBENZOYL)AMINO)THIOPHENE3CARBOXYLATE
METHYL5METHYL2((2NITROPHENYL)CARBONYLAMINO)THIOPHENE3CARBOXYLATE
MFCD07358178
ZINC000004750121
ZINC04750121
ZINC4750121

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Available files

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