Vitas-M small molecule compound
(2S,3R)-2-((S)-2-(2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)acetamido)-4-(methylthio)butanamido)-3-methylpentanoic acid
Catalog ID
STL565469
SMILES CSCC[C@@H](C(=O)N[C@@H](C(CC)C)C(=O)O)NC(=O)Cn1c(=O)[nH]c2c(c1=O)cccc2
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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 C21H28N4O6S MW 464.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N4O6S/c1-4-12(2)17(20(29)30)24-18(27)15(9-10-32-3)22-16(26)11-25-19(28)13-7-5-6-8-14(13)23-21(25)31/h5-8,12,15,17H,4,9-11H2,1-3H3,(H,22,26)(H,23,31)(H,24,27)(H,29,30)/t12?,15-,17-/m0/s1InChIKey
MGCRWSZQUUJJKQ-GQHGFMKCSA-NSynonyms
956970-48-2(2S)2(((2S)2((2(24dioxo1Hquinazolin3yl)acetyl)amino)4methylsulfanylbutanoyl)amino)3methylpentanoicacid
(2S3R)2((S)2(2(24DIOXO12DIHYDROQUINAZOLIN3(4H)YL)ACETAMIDO)4(METHYLTHIO)BUTANAMIDO)3METHYLPENTANOICACID
16406221
956970482
CSCC(C@@H)(C(=O)N(C@@H)(C(CC)C)C(=O)O)NC(=O)Cn1c(=O)(nH)c2c(c1=O)cccc2
InChI=1SC21H28N4O6Sc1412(2)17(20(29)30)2418(27)15(910323)2216(26)112519(28)13756814(13)2321(25)31h58121517H4911H213H3(H2226)(H2331)(H2427)(H2930)t12?1517m0s1
ZINC000012889308
ZINC000012889315
Check stock
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Check stock on Vitas-MAvailable files
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