Vitas-M small molecule compound

N-[(2S)-2-(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-3-phenylpropanoyl]-L-valyl-D-proline

Catalog ID
STL007445
SMILES CC([C@@H](C(=O)N1CCC[C@@H]1C(=O)O)NC(=O)[C@@H](n1c(=O)[nH]c2c(c1=O)cccc2)Cc1ccccc1)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 C27H30N4O6 MW 506.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N4O6/c1-16(2)22(25(34)30-14-8-13-20(30)26(35)36)29-23(32)21(15-17-9-4-3-5-10-17)31-24(33)18-11-6-7-12-19(18)28-27(31)37/h3-7,9-12,16,20-22H,8,13-15H2,1-2H3,(H,28,37)(H,29,32)(H,35,36)/t20-,21+,22+/m1/s1
InChIKey
SYRLGRSPYCBUON-FSSWDIPSSA-N
Synonyms
956914-62-8
(2R)1((2S)2(((2S)2(24dioxo1Hquinazolin3yl)3phenylpropanoyl)amino)3methylbutanoyl)pyrrolidine2carboxylicacid
(R)1((S)2((S)2(24dioxo12dihydroquinazolin3(4H)yl)3phenylpropanamido)3methylbutanoyl)pyrrolidine2carboxylicacid
CC((C@@H)(C(=O)N1CCC(C@@H)1C(=O)O)NC(=O)(C@@H)(n1c(=O)(nH)c2c(c1=O)cccc2)Cc1ccccc1)C
CC(C)C(C(=O)N1CCCC1C(=O)O)NC(=O)C(CC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4NC3=O
InChI=1SC27H30N4O6c116(2)22(25(34)301481320(30)26(35)36)2923(32)21(151794351017)3124(33)1811671219(18)2827(31)37h37912162022H81315H212H3(H2837)(H2932)(H3536)t2021+22+m1s1
MFCD06766286
N((2S)2(24dioxo14dihydroquinazolin3(2H)yl)3phenylpropanoyl)LvalylDproline
ZINC12883066

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Available files

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