Vitas-M small molecule compound
({1,3-dimethyl-2,6-dioxo-7-[3-(trifluoromethyl)benzyl]-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetic acid
Catalog ID
STK523985
SMILES OC(=O)CSc1nc2c(n1Cc1cccc(c1)C(F)(F)F)c(=O)n(c(=O)n2C)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 C17H15F3N4O4S MW 428.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15F3N4O4S/c1-22-13-12(14(27)23(2)16(22)28)24(15(21-13)29-8-11(25)26)7-9-4-3-5-10(6-9)17(18,19)20/h3-6H,7-8H2,1-2H3,(H,25,26)InChIKey
NBILXXNSGNHLEZ-UHFFFAOYSA-NSynonyms
((13dimethyl26dioxo7(3(trifluoromethyl)benzyl)2367tetrahydro1Hpurin8yl)sulfanyl)aceticacid
2(13DIMETHYL26DIOXO7((3(TRIFLUOROMETHYL)PHENYL)METHYL)137TRIHYDROPURIN8YLTHIO)ACETICACID
2(13DIMETHYL26DIOXO7((3(TRIFLUOROMETHYL)PHENYL)METHYL)PURIN8YL)SULFANYLACETICACID
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)O)CC3=CC(=CC=C3)C(F)(F)F
InChI=1SC17H15F3N4O4Sc1221312(14(27)23(2)16(22)28)24(15(2113)29811(25)26)7943510(69)17(1819)20h36H78H212H3(H2526)
MFCD02060603
ZINC000004036877
ZINC4036877
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