Vitas-M small molecule compound
2-{[5-cyano-4-(4-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)butanamide
Catalog ID
STK968321
SMILES CCC(C(=O)Nc1noc(c1)C)Sc1nc(c2ccc(cc2)OC)c(c(=O)[nH]1)C#N
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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 C20H19N5O4S MW 425.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N5O4S/c1-4-15(19(27)22-16-9-11(2)29-25-16)30-20-23-17(14(10-21)18(26)24-20)12-5-7-13(28-3)8-6-12/h5-9,15H,4H2,1-3H3,(H,22,25,27)(H,23,24,26)InChIKey
WRDITJXQEJDYMS-UHFFFAOYSA-NSynonyms
2((5cyano4(4methoxyphenyl)6oxo16dihydropyrimidin2yl)sulfanyl)N(5methyl12oxazol3yl)butanamide
2((5CYANO6(4METHOXYPHENYL)4OXO1HPYRIMIDIN2YL)SULFANYL)N(5METHYL12OXAZOL3YL)BUTANAMIDE
CCC(C(=O)NC1=NOC(=C1)C)SC2=NC(=O)C(=C(N2)C3=CC=C(C=C3)OC)C#N
CCC(C(=O)Nc1noc(c1)C)Sc1nc(c2ccc(cc2)OC)c(c(=O)(nH)1)C#N
InChI=1SC20H19N5O4Sc1415(19(27)2216911(2)292516)30202317(14(1021)18(26)2420)125713(283)8612h5915H4H213H3(H222527)(H232426)
MFCD02243893
ZINC000002104909
ZINC000002104911
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