Vitas-M small molecule compound
methyl 4-[({[7-(4-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetyl)amino]benzoate
Catalog ID
STK667200
SMILES COC(=O)c1ccc(cc1)NC(=O)CSc1nc2c(n1Cc1ccc(cc1)Cl)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 C24H22ClN5O5S MW 527.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22ClN5O5S/c1-28-20-19(21(32)29(2)24(28)34)30(12-14-4-8-16(25)9-5-14)23(27-20)36-13-18(31)26-17-10-6-15(7-11-17)22(33)35-3/h4-11H,12-13H2,1-3H3,(H,26,31)InChIKey
LUKDDARFPPJGRM-UHFFFAOYSA-NSynonyms
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)NC3=CC=C(C=C3)C(=O)OC)CC4=CC=C(C=C4)Cl
InChI=1SC24H22ClN5O5Sc1282019(21(32)29(2)24(28)34)30(12144816(25)9514)23(2720)361318(31)261710615(71117)22(33)353h411H1213H213H3(H2631)
methyl4((((7(4chlorobenzyl)13dimethyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)acetyl)amino)benzoate
METHYL4((2(7((4CHLOROPHENYL)METHYL)13DIMETHYL26DIOXOPURIN8YL)SULFANYLACETYL)AMINO)BENZOATE
MFCD03855707
ZINC000001080855
ZINC1080855
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