Vitas-M small molecule compound

1-(4-methoxyphenyl)-6-(propan-2-yl)-2-sulfanyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one

Catalog ID
STK578283
SMILES COc1ccc(cc1)n1c(S)nc(=O)c2c1NCN(C2)C(C)C

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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 C16H20N4O2S MW 332.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H20N4O2S/c1-10(2)19-8-13-14(17-9-19)20(16(23)18-15(13)21)11-4-6-12(22-3)7-5-11/h4-7,10,17H,8-9H2,1-3H3,(H,18,21,23)
InChIKey
ZLZNYTNAZPJXJN-UHFFFAOYSA-N
Synonyms
879588-49-5
1(4methoxyphenyl)6(propan2yl)2sulfanyl5678tetrahydropyrimido(45d)pyrimidin4(1H)one
1(4methoxyphenyl)6propan2yl2sulfanylidene78dihydro5Hpyrimido(45d)pyrimidin4one
879588495
CC(C)N1CC2=C(NC1)N(C(=S)NC2=O)C3=CC=C(C=C3)OC
InChI=1SC16H20N4O2Sc110(2)1981314(17919)20(16(23)1815(13)21)114612(223)7511h471017H89H213H3(H182123)
MFCD07796903
ZINC000020567587
ZINC20567587

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Available files

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