Vitas-M small molecule compound

1-(3-methoxypropyl)-7-methyl-4-oxo-2-sulfanyl-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylic acid

Catalog ID
STL179852
SMILES COCCCn1c(S)nc(=O)c2c1nc(C)cc2C(=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 C13H15N3O4S MW 309.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H15N3O4S/c1-7-6-8(12(18)19)9-10(14-7)16(4-3-5-20-2)13(21)15-11(9)17/h6H,3-5H2,1-2H3,(H,18,19)(H,15,17,21)
InChIKey
ZOFASCHIRUZIAZ-UHFFFAOYSA-N
Synonyms
1011396-16-9
1(3methoxypropyl)7methyl4oxo2sulfanyl14dihydropyrido(23d)pyrimidine5carboxylicacid
1(3methoxypropyl)7methyl4oxo2sulfanylidenepyrido(23d)pyrimidine5carboxylicacid
1011396169
CC1=NC2=C(C(=C1)C(=O)O)C(=O)NC(=S)N2CCCOC
InChI=1SC13H15N3O4Sc1768(12(18)19)910(147)16(435202)13(21)1511(9)17h6H35H212H3(H1819)(H151721)
MFCD09473337
ZINC000036617313
ZINC36617313

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Available files

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