Vitas-M small molecule compound

methyl 1-ethyl-7-(3-nitrophenyl)-4-oxo-2-sulfanyl-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate

Catalog ID
STL179800
SMILES COC(=O)c1cc(nc2c1c(=O)nc(n2CC)S)c1cccc(c1)[N+](=O)[O-]

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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 C17H14N4O5S MW 386.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14N4O5S/c1-3-20-14-13(15(22)19-17(20)27)11(16(23)26-2)8-12(18-14)9-5-4-6-10(7-9)21(24)25/h4-8H,3H2,1-2H3,(H,19,22,27)
InChIKey
ZJAMFJSYOBAAMD-UHFFFAOYSA-N
Synonyms
1011349-31-7
1011349317
CCN1C2=C(C(=CC(=N2)C3=CC(=CC=C3)(N+)(=O)(O))C(=O)OC)C(=O)NC1=S
COC(=O)c1cc(nc2c1c(=O)nc(n2CC)S)c1cccc(c1)(N+)(=O)(O)
InChI=1SC17H14N4O5Sc13201413(15(22)1917(20)27)11(16(23)262)812(1814)954610(79)21(24)25h48H3H212H3(H192227)
methyl1ethyl7(3nitrophenyl)4oxo2sulfanyl14dihydropyrido(23d)pyrimidine5carboxylate
methyl1ethyl7(3nitrophenyl)4oxo2sulfanylidenepyrido(23d)pyrimidine5carboxylate
MFCD09469283
ZINC000036614380
ZINC36614380

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Available files

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