Vitas-M small molecule compound

STK603730

Catalog ID
STK603730
SMILES CCC([C@@H](C(=O)O)NC(=O)CC(c1ccc(cc1)Cl)CNC(=O)[C@@H]1CCCN1)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 C21H30ClN3O4 MW 423.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H30ClN3O4/c1-3-13(2)19(21(28)29)25-18(26)11-15(14-6-8-16(22)9-7-14)12-24-20(27)17-5-4-10-23-17/h6-9,13,15,17,19,23H,3-5,10-12H2,1-2H3,(H,24,27)(H,25,26)(H,28,29)/t13?,15-,17-,19-/m0/s1
InChIKey
FTUUKFIVACLFLL-QRVYZMNTSA-N
Synonyms
(2S)2(((3R)3(4chlorophenyl)4(((2S)pyrrolidine2carbonyl)amino)butanoyl)amino)3methylpentanoicacid
(2S3R)2((R)3(4chlorophenyl)4((S)pyrrolidine2carboxamido)butanamido)3methylpentanoicacidhydrochloride
CCC((C@@H)(C(=O)O)NC(=O)C(C@H)(c1ccc(cc1)Cl)CNC(=O)(C@@H)1CCCN1)CCl
CCC((C@@H)(C(=O)O)NC(=O)CC(c1ccc(cc1)Cl)CNC(=O)(C@@H)1CCCN1)C
CCC(C)C(C(=O)O)NC(=O)CC(CNC(=O)C1CCCN1)C2=CC=C(C=C2)Cl
Registry IDs
MFCD08291020
ZINC000006759727
ZINC000013548273

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Available files

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