Vitas-M small molecule compound

N-[(3R)-4-(L-alanylamino)-3-(4-chlorophenyl)butanoyl]-L-alanine

Catalog ID
STL534823
SMILES O=C(CC(c1ccc(cc1)Cl)CNC(=O)[C@@H](N)C)N[C@H](C(=O)O)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 C16H22ClN3O4 MW 355.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H22ClN3O4/c1-9(18)15(22)19-8-12(11-3-5-13(17)6-4-11)7-14(21)20-10(2)16(23)24/h3-6,9-10,12H,7-8,18H2,1-2H3,(H,19,22)(H,20,21)(H,23,24)/t9-,10-,12-/m0/s1
InChIKey
BLLKFLFCKNBXOL-NHCYSSNCSA-N
Synonyms
956952-67-3
(2~(S))2(((3~(R))4(((2~(S))2aminopropanoyl)amino)3(4chlorophenyl)butanoyl)amino)propanoicacid
(S)2((R)4((S)2aminopropanamido)3(4chlorophenyl)butanamido)propanoicacid
16408594
956952673
InChI=1SC16H22ClN3O4c19(18)15(22)19812(113513(17)6411)714(21)2010(2)16(23)24h3691012H7818H212H3(H1922)(H2021)(H2324)t91012m0s1
N((3R)4(Lalanylamino)3(4chlorophenyl)butanoyl)Lalanine
O=C(C(C@H)(c1ccc(cc1)Cl)CNC(=O)(C@@H)(N)C)N(C@H)(C(=O)O)C
ZINC000008764405
ZINC8764405

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Available files

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