Vitas-M small molecule compound

diethyl 3-methyl-5-{[(2-nitrophenyl)acetyl]amino}thiophene-2,4-dicarboxylate

Catalog ID
STK429634
SMILES CCOC(=O)c1c(NC(=O)Cc2ccccc2[N+](=O)[O-])sc(c1C)C(=O)OCC

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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 C19H20N2O7S MW 420.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20N2O7S/c1-4-27-18(23)15-11(3)16(19(24)28-5-2)29-17(15)20-14(22)10-12-8-6-7-9-13(12)21(25)26/h6-9H,4-5,10H2,1-3H3,(H,20,22)
InChIKey
IJLNZXCCYDKUNB-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CC2=CC=CC=C2(N+)(=O)(O)
CCOC(=O)c1c(NC(=O)Cc2ccccc2(N+)(=O)(O))sc(c1C)C(=O)OCC
diethyl3methyl5(((2nitrophenyl)acetyl)amino)thiophene24dicarboxylate
DIETHYL3METHYL5((2(2NITROPHENYL)ACETYL)AMINO)THIOPHENE24DICARBOXYLATE
DIETHYL5(((2NITROPHENYL)ACETYL)AMINO)3METHYL24THIOPHENEDICARBOXYLATE
ETHYL5(ETHOXYCARBONYL)4METHYL2(2(2NITROPHENYL)ACETYLAMINO)THIOPHENE3CARBOXYLATE
InChI=1SC19H20N2O7Sc142718(23)1511(3)16(19(24)2852)2917(15)2014(22)1012867913(12)21(25)26h69H4510H213H3(H2022)
MFCD03234165
ZINC000002801099
ZINC02801099
ZINC2801099

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Available files

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