Vitas-M small molecule compound
(2S,3S)-2-((S)-4-amino-2-((S)-2-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)-3-phenylpropanamido)-4-oxobutanamido)-3-hydroxybutanoic acid
Catalog ID
STL529899
SMILES NC(=O)C[C@@H](C(=O)N[C@H](C(=O)O)C(O)C)NC(=O)[C@@H](n1c(O)nc2c(c1=O)cccc2)Cc1ccccc1
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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 C25H27N5O8 MW 525.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N5O8/c1-13(31)20(24(36)37)29-21(33)17(12-19(26)32)27-22(34)18(11-14-7-3-2-4-8-14)30-23(35)15-9-5-6-10-16(15)28-25(30)38/h2-10,13,17-18,20,31H,11-12H2,1H3,(H2,26,32)(H,27,34)(H,28,38)(H,29,33)(H,36,37)/t13?,17-,18-,20-/m0/s1InChIKey
HHOVWAMNSHGGGN-NEWQGEITSA-NSynonyms
957033-52-2(2~(S))2(((2~(S))4amino2(((2~(S))2(24dioxo1~(H)quinazolin3yl)3phenylpropanoyl)amino)4oxobutanoyl)amino)3hydroxybutanoicacid
(2S3S)2((S)4AMINO2((S)2(24DIOXO12DIHYDROQUINAZOLIN3(4H)YL)3PHENYLPROPANAMIDO)4OXOBUTANAMIDO)3HYDROXYBUTANOICACID
16404832
957033522
InChI=1SC25H27N5O8c113(31)20(24(36)37)2921(33)17(1219(26)32)2722(34)18(11147324814)3023(35)159561016(15)2825(30)38h2101317182031H1112H21H3(H22632)(H2734)(H2838)(H2933)(H3637)t13?171820m0s1
MFCD07201017
ZINC000070701060
ZINC000070701062
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