Vitas-M small molecule compound

3-[7-hydroxy-1-methyl-9-(4-methylphenyl)-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]propanenitrile

Catalog ID
STL322035
SMILES N#CCCn1c(=O)n(C)c2c(c1=O)n1CC(O)CN(c1n2)c1ccc(cc1)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 C19H20N6O3 MW 380.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20N6O3/c1-12-4-6-13(7-5-12)24-10-14(26)11-25-15-16(21-18(24)25)22(2)19(28)23(17(15)27)9-3-8-20/h4-7,14,26H,3,9-11H2,1-2H3
InChIKey
SSSNCCJQXOVQHL-UHFFFAOYSA-N
Synonyms
107945-65-3
107945653
3(7hydroxy1methyl24dioxo9(ptolyl)126789hexahydropyrimido(21f)purin3(4H)yl)propanenitrile
3(7hydroxy1methyl9(4methylphenyl)24dioxo146789hexahydropyrimido(21f)purin3(2H)yl)propanenitrile
3(7HYDROXY1METHYL9(4METHYLPHENYL)24DIOXO78DIHYDRO6HPURINO(78A)PYRIMIDIN3YL)PROPANENITRILE
CC1=CC=C(C=C1)N2CC(CN3C2=NC4=C3C(=O)N(C(=O)N4C)CCC#N)O
InChI=1SC19H20N6O3c1124613(7512)241014(26)11251516(2118(24)25)22(2)19(28)23(17(15)27)93820h471426H3911H212H3
MFCD01552956
ZINC000013511672
ZINC000013511676

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Available files

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