Vitas-M small molecule compound
1-(4-methoxyphenyl)-6-(2-phenylethyl)-2-sulfanyl-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Catalog ID
STK583553
SMILES COc1ccc(cc1)n1c(S)nc(=O)c2c1NCN(C2)CCc1ccccc1
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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 C21H22N4O2S MW 394.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O2S/c1-27-17-9-7-16(8-10-17)25-19-18(20(26)23-21(25)28)13-24(14-22-19)12-11-15-5-3-2-4-6-15/h2-10,22H,11-14H2,1H3,(H,23,26,28)InChIKey
HSIBHTORJFUVNB-UHFFFAOYSA-NSynonyms
879563-79-81(4methoxyphenyl)6(2phenylethyl)2sulfanyl5678tetrahydropyrimido(45d)pyrimidin4(1H)one
1(4methoxyphenyl)6(2phenylethyl)2sulfanylidene78dihydro5Hpyrimido(45d)pyrimidin4one
879563798
COC1=CC=C(C=C1)N2C3=C(CN(CN3)CCC4=CC=CC=C4)C(=O)NC2=S
InChI=1SC21H22N4O2Sc127179716(81017)251918(20(26)2321(25)28)1324(142219)1211155324615h21022H1114H21H3(H232628)
MFCD07794297
ZINC000019939431
ZINC19939431
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