Vitas-M small molecule compound

N-[(3R)-3-(4-chlorophenyl)-4-(L-prolylamino)butanoyl]-L-phenylalanine

Catalog ID
STK604914
SMILES O=C(CC(c1ccc(cc1)Cl)CNC(=O)[C@@H]1CCCN1)N[C@H](C(=O)O)Cc1ccccc1

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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 C24H28ClN3O4 MW 457.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28ClN3O4/c25-19-10-8-17(9-11-19)18(15-27-23(30)20-7-4-12-26-20)14-22(29)28-21(24(31)32)13-16-5-2-1-3-6-16/h1-3,5-6,8-11,18,20-21,26H,4,7,12-15H2,(H,27,30)(H,28,29)(H,31,32)/t18-,20-,21-/m0/s1
InChIKey
LIDUJLOSOKRCLU-JBACZVJFSA-N
Synonyms

(2S)2(((3R)3(4chlorophenyl)4(((2S)pyrrolidin1ium2carbonyl)amino)butanoyl)amino)3phenylpropanoate
(S)2((R)3(4chlorophenyl)4((S)pyrrolidine2carboxamido)butanamido)3phenylpropanoicacidhydrochloride
C1CC((NH2+)C1)C(=O)NCC(CC(=O)NC(CC2=CC=CC=C2)C(=O)(O))C3=CC=C(C=C3)Cl
InChI=1SC24H28ClN3O4c251910817(91119)18(152723(30)2074122620)1422(29)2821(24(31)32)13165213616h135681118202126H471215H2(H2730)(H2829)(H3132)t182021m0s1
MFCD08292421
N((3R)3(4chlorophenyl)4(Lprolylamino)butanoyl)Lphenylalanine
O=C(C(C@H)(c1ccc(cc1)Cl)CNC(=O)(C@@H)1CCCN1)N(C@H)(C(=O)O)Cc1ccccc1Cl
O=C(CC(c1ccc(cc1)Cl)CNC(=O)(C@@H)1CCCN1)N(C@H)(C(=O)O)Cc1ccccc1
ZINC000009435910
ZINC09435910
ZINC9435910

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Available files

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