Vitas-M small molecule compound
(2S,3S)-2-((R)-2-(2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)-3-phenylpropanamido)-3-hydroxybutanoic acid
Catalog ID
STL533380
SMILES CC([C@@H](C(=O)O)NC(=O)[C@H](n1c(=O)[nH]c2c(c1=O)cccc2)Cc1ccccc1)O
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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 C21H21N3O6 MW 411.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O6/c1-12(25)17(20(28)29)23-18(26)16(11-13-7-3-2-4-8-13)24-19(27)14-9-5-6-10-15(14)22-21(24)30/h2-10,12,16-17,25H,11H2,1H3,(H,22,30)(H,23,26)(H,28,29)/t12?,16-,17+/m1/s1InChIKey
QWTFHQXHNZCQBF-CLFRDCOVSA-NSynonyms
956994-39-1(2~(S))2(((2~(R))2(24dioxo1~(H)quinazolin3yl)3phenylpropanoyl)amino)3hydroxybutanoicacid
(2S3S)2((R)2(24DIOXO12DIHYDROQUINAZOLIN3(4H)YL)3PHENYLPROPANAMIDO)3HYDROXYBUTANOICACID
16406272
956994391
CC((C@@H)(C(=O)O)NC(=O)(C@@H)(n1c(=O)(nH)c2c(c1=O)cccc2)Cc1ccccc1)O
InChI=1SC21H21N3O6c112(25)17(20(28)29)2318(26)16(11137324813)2419(27)149561015(14)2221(24)30h21012161725H11H21H3(H2230)(H2326)(H2829)t12?1617+m1s1
MFCD07637553
ZINC000003985275
ZINC000012889360
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