Vitas-M small molecule compound
methyl N-{[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetyl}leucinate
Catalog ID
STK082544
SMILES COC(=O)C(NC(=O)CSc1nc(c2ccccc2)c(c(=O)[nH]1)C#N)CC(C)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 C20H22N4O4S MW 414.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O4S/c1-12(2)9-15(19(27)28-3)22-16(25)11-29-20-23-17(13-7-5-4-6-8-13)14(10-21)18(26)24-20/h4-8,12,15H,9,11H2,1-3H3,(H,22,25)(H,23,24,26)InChIKey
AKPKVAZBSUXKSJ-UHFFFAOYSA-NSynonyms
1008465-52-81008465528
2((2((5CYANO4KETO6PHENYL1HPYRIMIDIN2YL)THIO)ACETYL)AMINO)4METHYLVALERICACIDMETHYLESTER
2((2((5CYANO4OXO6PHENYL1HPYRIMIDIN2YL)THIO)1OXOETHYL)AMINO)4METHYLPENTANOICACIDMETHYLESTER
CC(C)CC(C(=O)OC)NC(=O)CSC1=NC(=O)C(=C(N1)C2=CC=CC=C2)C#N
COC(=O)C(NC(=O)CSc1nc(c2ccccc2)c(c(=O)(nH)1)C#N)CC(C)C
InChI=1SC20H22N4O4Sc112(2)915(19(27)283)2216(25)1129202317(137546813)14(1021)18(26)2420h481215H911H213H3(H2225)(H232426)
METHYL2((2((5CYANO4OXO6PHENYL1HPYRIMIDIN2YL)SULFANYL)ACETYL)AMINO)4METHYLPENTANOATE
METHYL2(2((5CYANO4OXIDANYLIDENE6PHENYL1HPYRIMIDIN2YL)SULFANYL)ETHANOYLAMINO)4METHYLPENTANOATE
METHYLN(((5CYANO6OXO4PHENYL16DIHYDROPYRIMIDIN2YL)SULFANYL)ACETYL)LEUCINATE
MFCD02175661
STK082544
ZINC000018136961
ZINC000018136963
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