Vitas-M small molecule compound

{[7-(4-fluorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetic acid

Catalog ID
STL387308
SMILES OC(=O)CSc1nc2c(n1Cc1ccc(cc1)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 C16H15FN4O4S MW 378.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15FN4O4S/c1-19-13-12(14(24)20(2)16(19)25)21(15(18-13)26-8-11(22)23)7-9-3-5-10(17)6-4-9/h3-6H,7-8H2,1-2H3,(H,22,23)
InChIKey
ZCAWZDBAXTYQPD-UHFFFAOYSA-N
Synonyms

((7(4fluorobenzyl)13dimethyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)aceticacid
2(7((4FLUOROPHENYL)METHYL)13DIMETHYL26DIOXOPURIN8YL)SULFANYLACETICACID
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)O)CC3=CC=C(C=C3)F
InChI=1SC16H15FN4O4Sc1191312(14(24)20(2)16(19)25)21(15(1813)26811(22)23)793510(17)649h36H78H212H3(H2223)
MFCD01926008
ZINC000005042138
ZINC5042138

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Available files

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