Vitas-M small molecule compound

ethyl 2-amino-1-(2-nitrophenyl)-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK761768
SMILES CCOC(=O)C1=C(N)N(c2ccccc2[N+](=O)[O-])C2=C(C1c1ccsc1)C(=O)CCC2

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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 C22H21N3O5S MW 439.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O5S/c1-2-30-22(27)20-18(13-10-11-31-12-13)19-16(8-5-9-17(19)26)24(21(20)23)14-6-3-4-7-15(14)25(28)29/h3-4,6-7,10-12,18H,2,5,8-9,23H2,1H3
InChIKey
BKNZPYRKYYROCM-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(N(C2=C(C1C3=CSC=C3)C(=O)CCC2)C4=CC=CC=C4(N+)(=O)(O))N
CCOC(=O)C1=C(N)N(c2ccccc2(N+)(=O)(O))C2=C(C1c1ccsc1)C(=O)CCC2
ethyl2amino1(2nitrophenyl)5oxo4(thiophen3yl)145678hexahydroquinoline3carboxylate
ethyl2amino1(2nitrophenyl)5oxo4thiophen3yl4678tetrahydroquinoline3carboxylate
InChI=1SC22H21N3O5Sc123022(27)2018(131011311213)1916(85917(19)26)24(21(20)23)14634715(14)25(28)29h3467101218H258923H21H3
MFCD01871040
ZINC000015218259
ZINC000015218262

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Available files

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