Vitas-M small molecule compound

N-[(2R)-2-(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)-3-(1H-indol-3-yl)propanoyl]-D-valine

Catalog ID
STL531617
SMILES CC([C@H](C(=O)O)NC(=O)[C@H](n1c(=O)[nH]c2c(c1=O)cccc2)Cc1c[nH]c2c1cccc2)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 C24H24N4O5 MW 448.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24N4O5/c1-13(2)20(23(31)32)27-21(29)19(11-14-12-25-17-9-5-3-7-15(14)17)28-22(30)16-8-4-6-10-18(16)26-24(28)33/h3-10,12-13,19-20,25H,11H2,1-2H3,(H,26,33)(H,27,29)(H,31,32)/t19-,20-/m1/s1
InChIKey
XMYXETUGOQCYNJ-WOJBJXKFSA-N
Synonyms
1173678-92-6
(2~(R))2(((2~(R))2(24dioxo1~(H)quinazolin3yl)3(1~(H)indol3yl)propanoyl)amino)3methylbutanoicacid
(R)2((R)2(24DIOXO12DIHYDROQUINAZOLIN3(4H)YL)3(1HINDOL3YL)PROPANAMIDO)3METHYLBUTANOICACID
(S)2((S)2(24dioxo12dihydroquinazolin3(4H)yl)3(1Hindol3yl)propanamido)3methylbutanoicacid
1173678926
16405627
CC((C@@H)(C(=O)O)NC(=O)(C@@H)(n1c(=O)(nH)c2c(c1=O)cccc2)Cc1c(nH)c2c1cccc2)C
InChI=1SC24H24N4O5c113(2)20(23(31)32)2721(29)19(1114122517953715(14)17)2822(30)168461018(16)2624(28)33h3101213192025H11H212H3(H2633)(H2729)(H3132)t1920m1s1
N((2R)2(24dioxo14dihydroquinazolin3(2H)yl)3(1Hindol3yl)propanoyl)Dvaline
ZINC000009059088
ZINC9059088

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Available files

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