Vitas-M small molecule compound

(2S)-[(N-{[(2S)-3-oxo-2-(propan-2-yl)-3,4-dihydroquinoxalin-1(2H)-yl]carbonyl}-L-phenylalanyl)amino](phenyl)ethanoic acid

Catalog ID
STL008345
SMILES O=C([C@@H](NC(=O)N1[C@@H](C(C)C)C(=O)Nc2c1cccc2)Cc1ccccc1)N[C@@H](c1ccccc1)C(=O)O

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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 C29H30N4O5 MW 514.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N4O5/c1-18(2)25-27(35)30-21-15-9-10-16-23(21)33(25)29(38)31-22(17-19-11-5-3-6-12-19)26(34)32-24(28(36)37)20-13-7-4-8-14-20/h3-16,18,22,24-25H,17H2,1-2H3,(H,30,35)(H,31,38)(H,32,34)(H,36,37)/t22-,24-,25-/m0/s1
InChIKey
HHFGRBVNICWEBY-HVCNVCAESA-N
Synonyms
956924-58-6
(2S)((N(((2S)3OXO2(PROPAN2YL)34DIHYDROQUINOXALIN1(2H)YL)CARBONYL)LPHENYLALANYL)AMINO)(PHENYL)ETHANOICACID
(2S)2(((2S)2(((2S)3oxo2propan2yl24dihydroquinoxaline1carbonyl)amino)3phenylpropanoyl)amino)2phenylaceticacid
(S)2((S)2((S)2isopropyl3oxo1234tetrahydroquinoxaline1carboxamido)3phenylpropanamido)2phenylaceticacid
956924586
CC(C)C1C(=O)NC2=CC=CC=C2N1C(=O)NC(CC3=CC=CC=C3)C(=O)NC(C4=CC=CC=C4)C(=O)O
InChI=1SC29H30N4O5c118(2)2527(35)3021159101623(21)33(25)29(38)3122(1719115361219)26(34)3224(28(36)37)20137481420h31618222425H17H212H3(H3035)(H3138)(H3234)(H3637)t222425m0s1
MFCD07637924
O=C((C@@H)(NC(=O)N1(C@@H)(C(C)C)C(=O)Nc2c1cccc2)Cc1ccccc1)N(C@@H)(c1ccccc1)C(=O)O
ZINC000008914894
ZINC8914894

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Available files

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