Vitas-M small molecule compound
6-(butan-2-yl)-1-(4-methylphenyl)-2-thioxo-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one
Catalog ID
STK696121
SMILES CCC(N1CNc2c(C1)c(=O)[nH]c(=S)n2c1ccc(cc1)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 C17H22N4OS MW 330.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22N4OS/c1-4-12(3)20-9-14-15(18-10-20)21(17(23)19-16(14)22)13-7-5-11(2)6-8-13/h5-8,12,18H,4,9-10H2,1-3H3,(H,19,22,23)InChIKey
ZTAFPFYECZOOPH-UHFFFAOYSA-NSynonyms
6(butan2yl)1(4methylphenyl)2thioxo235678hexahydropyrimido(45d)pyrimidin4(1H)one
6butan2yl1(4methylphenyl)2sulfanylidene78dihydro5Hpyrimido(45d)pyrimidin4one
CCC(C)N1CC2=C(NC1)N(C(=S)NC2=O)C3=CC=C(C=C3)C
CCC(N1CNc2c(C1)c(=O)(nH)c(=S)n2c1ccc(cc1)C)C
InChI=1SC17H22N4OSc1412(3)2091415(181020)21(17(23)1916(14)22)137511(2)6813h581218H4910H213H3(H192223)
MFCD08098291
ZINC000012418635
ZINC000012418636
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