Vitas-M small molecule compound
methyl 2-(benzylsulfanyl)-7-methyl-4-oxo-5-(pyridin-4-yl)-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate
Catalog ID
STK980986
SMILES COC(=O)C1=C(C)Nc2c(C1c1ccncc1)c(=O)[nH]c(n2)SCc1ccccc1
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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 C22H20N4O3S MW 420.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O3S/c1-13-16(21(28)29-2)17(15-8-10-23-11-9-15)18-19(24-13)25-22(26-20(18)27)30-12-14-6-4-3-5-7-14/h3-11,17H,12H2,1-2H3,(H2,24,25,26,27)InChIKey
YONUZQQWDGFRMF-UHFFFAOYSA-NSynonyms
537047-10-2537047102
CC1=C(C(C2=C(N1)NC(=NC2=O)SCC3=CC=CC=C3)C4=CC=NC=C4)C(=O)OC
COC(=O)C1=C(C)Nc2c(C1c1ccncc1)c(=O)(nH)c(n2)SCc1ccccc1
InChI=1SC22H20N4O3Sc11316(21(28)292)17(158102311915)1819(2413)2522(2620(18)27)3012146435714h31117H12H212H3(H224252627)
methyl2(benzylsulfanyl)7methyl4oxo5(pyridin4yl)3458tetrahydropyrido(23d)pyrimidine6carboxylate
METHYL2BENZYLSULFANYL7METHYL4OXO5PYRIDIN4YL58DIHYDRO1HPYRIDO(23D)PYRIMIDINE6CARBOXYLATE
MFCD04457443
ZINC000100821751
ZINC000100821752
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