Vitas-M small molecule compound
6-cyclopentyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-sulfanyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Catalog ID
STK595732
SMILES COc1cc(ccc1OC)CCn1c(S)nc(=O)c2c1NCN(C2)C1CCCC1
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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 C21H28N4O3S MW 416.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N4O3S/c1-27-17-8-7-14(11-18(17)28-2)9-10-25-19-16(20(26)23-21(25)29)12-24(13-22-19)15-5-3-4-6-15/h7-8,11,15,22H,3-6,9-10,12-13H2,1-2H3,(H,23,26,29)InChIKey
OUDVVVFOFHIGAU-UHFFFAOYSA-NSynonyms
775294-41-26cyclopentyl1(2(34dimethoxyphenyl)ethyl)2sulfanyl5678tetrahydropyrimido(45d)pyrimidin4(1H)one
6cyclopentyl1(2(34dimethoxyphenyl)ethyl)2sulfanylidene78dihydro5Hpyrimido(45d)pyrimidin4one
775294412
COC1=C(C=C(C=C1)CCN2C3=C(CN(CN3)C4CCCC4)C(=O)NC2=S)OC
InChI=1SC21H28N4O3Sc127178714(1118(17)282)910251916(20(26)2321(25)29)1224(132219)15534615h78111522H369101213H212H3(H232629)
MFCD07794323
ZINC000020259063
ZINC20259063
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