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Vitas-M small molecule compound

N-[(2R)-2-(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-3-phenylpropanoyl]-L-phenylalanyl-L-valine

Catalog ID
STL529617
SMILES O=C([C@@H](NC(=O)[C@H](n1c(=O)[nH]c2c(c1=O)cccc2)Cc1ccccc1)Cc1ccccc1)N[C@H](C(=O)O)C(C)C

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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 C31H32N4O6 MW 556.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H32N4O6/c1-19(2)26(30(39)40)34-27(36)24(17-20-11-5-3-6-12-20)32-28(37)25(18-21-13-7-4-8-14-21)35-29(38)22-15-9-10-16-23(22)33-31(35)41/h3-16,19,24-26H,17-18H2,1-2H3,(H,32,37)(H,33,41)(H,34,36)(H,39,40)/t24-,25+,26-/m0/s1
InChIKey
QXJHKOPEADJZIO-NXCFDTQHSA-N
Synonyms
956918-36-8
(2~(S))2(((2~(S))2(((2~(R))2(24dioxo1~(H)quinazolin3yl)3phenylpropanoyl)amino)3phenylpropanoyl)amino)3methylbutanoicacid
(R)2((S)2((S)2(24dioxo12dihydroquinazolin3(4H)yl)3phenylpropanamido)3phenylpropanamido)3methylbutanoicacid
(S)2((S)2((R)2(24DIOXO12DIHYDROQUINAZOLIN3(4H)YL)3PHENYLPROPANAMIDO)3PHENYLPROPANAMIDO)3METHYLBUTANOICACID
16405873
956918368
InChI=1SC31H32N4O6c119(2)26(30(39)40)3427(36)24(1720115361220)3228(37)25(1821137481421)3529(38)22159101623(22)3331(35)41h316192426H1718H212H3(H3237)(H3341)(H3436)(H3940)t2425+26m0s1
N((2R)2(24dioxo14dihydroquinazolin3(2H)yl)3phenylpropanoyl)LphenylalanylLvaline
O=C((C@@H)(NC(=O)(C@@H)(n1c(=O)(nH)c2c(c1=O)cccc2)Cc1ccccc1)Cc1ccccc1)N(C@@H)(C(=O)O)C(C)C
ZINC000070706094
ZINC70706094

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Available files

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