Vitas-M small molecule compound

N~2~-[(2S)-2-(2-hydroxy-4-oxoquinazolin-3(4H)-yl)-3-phenylpropanoyl]-L-asparaginyl-L-methionine

Catalog ID
STL530665
SMILES CSCC[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](n1c(O)nc2c(c1=O)cccc2)Cc1ccccc1)CC(=O)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 C26H29N5O7S MW 555.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N5O7S/c1-39-12-11-18(25(36)37)28-22(33)19(14-21(27)32)29-23(34)20(13-15-7-3-2-4-8-15)31-24(35)16-9-5-6-10-17(16)30-26(31)38/h2-10,18-20H,11-14H2,1H3,(H2,27,32)(H,28,33)(H,29,34)(H,30,38)(H,36,37)/t18-,19-,20-/m0/s1
InChIKey
VUSNTCJUXDRWAS-UFYCRDLUSA-N
Synonyms
956991-58-5
(2~(S))2(((2~(S))4amino2(((2~(S))2(24dioxo1~(H)quinazolin3yl)3phenylpropanoyl)amino)4oxobutanoyl)amino)4methylsulfanylbutanoicacid
(S)2((S)4AMINO2((S)2(24DIOXO12DIHYDROQUINAZOLIN3(4H)YL)3PHENYLPROPANAMIDO)4OXOBUTANAMIDO)4(METHYLTHIO)BUTANOICACID
16405547
956991585
InChI=1SC26H29N5O7Sc139121118(25(36)37)2822(33)19(1421(27)32)2923(34)20(13157324815)3124(35)169561017(16)3026(31)38h2101820H1114H21H3(H22732)(H2833)(H2934)(H3038)(H3637)t181920m0s1
N~2~((2S)2(2hydroxy4oxoquinazolin3(4H)yl)3phenylpropanoyl)LasparaginylLmethionine
N2((2S)2(2HYDROXY4OXOQUINAZOLIN3(4H)YL)3PHENYLPROPANOYL)LASPARAGINYLLMETHIONINE
ZINC000070704914
ZINC70704914

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.