Vitas-M small molecule compound

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

Catalog ID
STL531113
SMILES NC(=O)C[C@@H](C(=O)N[C@H](C(=O)O)CC(=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 C25H26N6O8 MW 538.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N6O8/c26-19(32)11-16(21(34)29-17(24(37)38)12-20(27)33)28-22(35)18(10-13-6-2-1-3-7-13)31-23(36)14-8-4-5-9-15(14)30-25(31)39/h1-9,16-18H,10-12H2,(H2,26,32)(H2,27,33)(H,28,35)(H,29,34)(H,30,39)(H,37,38)/t16-,17-,18-/m0/s1
InChIKey
ATCHGOLYEHIEHK-BZSNNMDCSA-N
Synonyms
956925-94-3
(2~(S))4amino2(((2~(S))4amino2(((2~(S))2(24dioxo1~(H)quinazolin3yl)3phenylpropanoyl)amino)4oxobutanoyl)amino)4oxobutanoicacid
(S)4AMINO2((S)4AMINO2((S)2(24DIOXO12DIHYDROQUINAZOLIN3(4H)YL)3PHENYLPROPANAMIDO)4OXOBUTANAMIDO)4OXOBUTANOICACID
16404595
956925943
InChI=1SC25H26N6O8c2619(32)1116(21(34)2917(24(37)38)1220(27)33)2822(35)18(10136213713)3123(36)14845915(14)3025(31)39h191618H1012H2(H22632)(H22733)(H2835)(H2934)(H3039)(H3738)t161718m0s1
N~2~((2S)2(2hydroxy4oxoquinazolin3(4H)yl)3phenylpropanoyl)LasparaginylLasparagine
N2((2S)2(2HYDROXY4OXOQUINAZOLIN3(4H)YL)3PHENYLPROPANOYL)LASPARAGINYLLASPARAGINE
ZINC000070700774
ZINC70700774

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Available files

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