Vitas-M small molecule compound
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanyl-6-(tetrahydrofuran-2-ylmethyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Catalog ID
STK598203
SMILES COc1cc(ccc1OC)CCn1c(S)nc(=O)c2c1NCN(C2)CC1CCCO1
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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 C21H28N4O4S MW 432.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N4O4S/c1-27-17-6-5-14(10-18(17)28-2)7-8-25-19-16(20(26)23-21(25)30)12-24(13-22-19)11-15-4-3-9-29-15/h5-6,10,15,22H,3-4,7-9,11-13H2,1-2H3,(H,23,26,30)InChIKey
PPCAGCKXXGXXAK-UHFFFAOYSA-NSynonyms
879575-33-41(2(34dimethoxyphenyl)ethyl)2sulfanyl6(tetrahydrofuran2ylmethyl)5678tetrahydropyrimido(45d)pyrimidin4(1H)one
1(2(34dimethoxyphenyl)ethyl)6(oxolan2ylmethyl)2sulfanylidene78dihydro5Hpyrimido(45d)pyrimidin4one
879575334
COC1=C(C=C(C=C1)CCN2C3=C(CN(CN3)CC4CCCO4)C(=O)NC2=S)OC
InChI=1SC21H28N4O4Sc127176514(1018(17)282)78251916(20(26)2321(25)30)1224(132219)11154392915h56101522H34791113H212H3(H232630)
MFCD07795678
ZINC000013577219
ZINC000020567593
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