Vitas-M small molecule compound
3-{[9-(4-fluorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl]sulfanyl}propanoic acid
Catalog ID
STK897578
SMILES OC(=O)CCSc1nc2c(n1Cc1ccc(cc1)F)n(C)c(=O)n(c2=O)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 C17H17FN4O4S MW 392.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17FN4O4S/c1-20-14-13(15(25)21(2)17(20)26)19-16(27-8-7-12(23)24)22(14)9-10-3-5-11(18)6-4-10/h3-6H,7-9H2,1-2H3,(H,23,24)InChIKey
CFWXDMVOHOVXOP-UHFFFAOYSA-NSynonyms
3((9(4fluorobenzyl)13dimethyl26dioxo2369tetrahydro1Hpurin8yl)sulfanyl)propanoicacid
3(9((4fluorophenyl)methyl)13dimethyl26dioxopurin8yl)sulfanylpropanoicacid
CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC3=CC=C(C=C3)F)SCCC(=O)O
InChI=1SC17H17FN4O4Sc1201413(15(25)21(2)17(20)26)1916(278712(23)24)22(14)9103511(18)6410h36H79H212H3(H2324)
MFCD15147707
ZINC000033274152
ZINC33274152
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