Vitas-M small molecule compound

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

Catalog ID
STL533338
SMILES NC(=O)CC[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 C27H30N6O8 MW 566.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N6O8/c28-21(34)12-10-18(23(36)31-19(26(39)40)11-13-22(29)35)30-24(37)20(14-15-6-2-1-3-7-15)33-25(38)16-8-4-5-9-17(16)32-27(33)41/h1-9,18-20H,10-14H2,(H2,28,34)(H2,29,35)(H,30,37)(H,31,36)(H,32,41)(H,39,40)/t18-,19-,20-/m0/s1
InChIKey
UECHFPBHKIBUCF-UFYCRDLUSA-N
Synonyms
956817-77-9
(2~(S))5amino2(((2~(S))5amino2(((2~(S))2(24dioxo1~(H)quinazolin3yl)3phenylpropanoyl)amino)5oxopentanoyl)amino)5oxopentanoicacid
(S)5AMINO2((S)5AMINO2((S)2(24DIOXO12DIHYDROQUINAZOLIN3(4H)YL)3PHENYLPROPANAMIDO)5OXOPENTANAMIDO)5OXOPENTANOICACID
16406119
956817779
InChI=1SC27H30N6O8c2821(34)121018(23(36)3119(26(39)40)111322(29)35)3024(37)20(14156213715)3325(38)16845917(16)3227(33)41h191820H1014H2(H22834)(H22935)(H3037)(H3136)(H3241)(H3940)t181920m0s1
N~2~((2S)2(2hydroxy4oxoquinazolin3(4H)yl)3phenylpropanoyl)LglutaminylLglutamine
N2((2S)2(2HYDROXY4OXOQUINAZOLIN3(4H)YL)3PHENYLPROPANOYL)LGLUTAMINYLLGLUTAMINE
ZINC000070706947
ZINC70706947

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Available files

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