Vitas-M small molecule compound

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

Catalog ID
STL533640
SMILES NC(=O)C[C@@H](C(=O)N[C@H](C(=O)O)C(C)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 C26H29N5O7 MW 523.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N5O7/c1-14(2)21(25(36)37)30-22(33)18(13-20(27)32)28-23(34)19(12-15-8-4-3-5-9-15)31-24(35)16-10-6-7-11-17(16)29-26(31)38/h3-11,14,18-19,21H,12-13H2,1-2H3,(H2,27,32)(H,28,34)(H,29,38)(H,30,33)(H,36,37)/t18-,19-,21-/m0/s1
InChIKey
BKSOAOYLVGHUAM-ZJOUEHCJSA-N
Synonyms
956943-36-5
(2~(S))2(((2~(S))4amino2(((2~(S))2(24dioxo1~(H)quinazolin3yl)3phenylpropanoyl)amino)4oxobutanoyl)amino)3methylbutanoicacid
(S)2((S)4AMINO2((S)2(24DIOXO12DIHYDROQUINAZOLIN3(4H)YL)3PHENYLPROPANAMIDO)4OXOBUTANAMIDO)3METHYLBUTANOICACID
16405122
956943365
InChI=1SC26H29N5O7c114(2)21(25(36)37)3022(33)18(1320(27)32)2823(34)19(12158435915)3124(35)1610671117(16)2926(31)38h31114181921H1213H212H3(H22732)(H2834)(H2938)(H3033)(H3637)t181921m0s1
N~2~((2S)2(2hydroxy4oxoquinazolin3(4H)yl)3phenylpropanoyl)LasparaginylLvaline
N2((2S)2(2HYDROXY4OXOQUINAZOLIN3(4H)YL)3PHENYLPROPANOYL)LASPARAGINYLLVALINE
ZINC000070701421
ZINC70701421

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Available files

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