Vitas-M small molecule compound
methyl 4-({[7-(2-fluorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}methyl)benzoate
Catalog ID
STK772784
SMILES COC(=O)c1ccc(cc1)CSc1nc2c(n1Cc1ccccc1F)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 C23H21FN4O4S MW 468.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21FN4O4S/c1-26-19-18(20(29)27(2)23(26)31)28(12-16-6-4-5-7-17(16)24)22(25-19)33-13-14-8-10-15(11-9-14)21(30)32-3/h4-11H,12-13H2,1-3H3InChIKey
XCLRBHJNLVMHHR-UHFFFAOYSA-NSynonyms
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC3=CC=C(C=C3)C(=O)OC)CC4=CC=CC=C4F
InChI=1SC23H21FN4O4Sc1261918(20(29)27(2)23(26)31)28(1216645717(16)24)22(2519)33131481015(11914)21(30)323h411H1213H213H3
methyl4(((7(2fluorobenzyl)13dimethyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)methyl)benzoate
METHYL4((7((2FLUOROPHENYL)METHYL)13DIMETHYL26DIOXOPURIN8YL)SULFANYLMETHYL)BENZOATE
MFCD03820743
ZINC000001078281
ZINC01078281
ZINC1078281
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