Vitas-M small molecule compound

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

Catalog ID
STL532162
SMILES NC(=O)C[C@@H](C(=O)N[C@@H](C(=O)O)CCC(=O)N)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 C26H28N6O8 MW 552.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N6O8/c27-20(33)11-10-17(25(38)39)29-22(35)18(13-21(28)34)30-23(36)19(12-14-6-2-1-3-7-14)32-24(37)15-8-4-5-9-16(15)31-26(32)40/h1-9,17-19H,10-13H2,(H2,27,33)(H2,28,34)(H,29,35)(H,30,36)(H,31,40)(H,38,39)/t17-,18+,19+/m1/s1
InChIKey
ZVSBEJQNGDRJNG-QYZOEREBSA-N
Synonyms
1173661-87-4
(2~(R))5amino2(((2~(S))4amino2(((2~(S))2(24dioxo1~(H)quinazolin3yl)3phenylpropanoyl)amino)4oxobutanoyl)amino)5oxopentanoicacid
(R)5AMINO2((S)4AMINO2((S)2(24DIOXO12DIHYDROQUINAZOLIN3(4H)YL)3PHENYLPROPANAMIDO)4OXOBUTANAMIDO)5OXOPENTANOICACID
1173661874
16405909
InChI=1SC26H28N6O8c2720(33)111017(25(38)39)2922(35)18(1321(28)34)3023(36)19(12146213714)3224(37)15845916(15)3126(32)40h191719H1013H2(H22733)(H22834)(H2935)(H3036)(H3140)(H3839)t1718+19+m1s1
N~2~((2S)2(2hydroxy4oxoquinazolin3(4H)yl)3phenylpropanoyl)LasparaginylDglutamine
N2((2S)2(2HYDROXY4OXOQUINAZOLIN3(4H)YL)3PHENYLPROPANOYL)LASPARAGINYLDGLUTAMINE
ZINC000070706232
ZINC70706232

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Available files

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