Vitas-M small molecule compound

ethyl 3-amino-4-(methoxymethyl)-6-methyl-5-nitrothieno[2,3-b]pyridine-2-carboxylate

Catalog ID
STK763296
SMILES COCc1c([N+](=O)[O-])c(C)nc2c1c(N)c(s2)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 C13H15N3O5S MW 325.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H15N3O5S/c1-4-21-13(17)11-9(14)8-7(5-20-3)10(16(18)19)6(2)15-12(8)22-11/h4-5,14H2,1-3H3
InChIKey
XMTQLKAXMWZBIF-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(C2=C(C(=C(N=C2S1)C)(N+)(=O)(O))COC)N
COCc1c((N+)(=O)(O))c(C)nc2c1c(N)c(s2)C(=O)OCC
ethyl3amino4(methoxymethyl)6methyl5nitrothieno(23b)pyridine2carboxylate
InChI=1SC13H15N3O5Sc142113(17)119(14)87(5203)10(16(18)19)6(2)1512(8)2211h4514H213H3
MFCD02647180
ZINC000004499403
ZINC04499403
ZINC4499403

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Available files

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