Vitas-M small molecule compound

1-[(3R)-3-(4-chlorophenyl)-4-(L-prolylamino)butanoyl]piperidine-4-carboxylic acid

Catalog ID
STK606729
SMILES O=C([C@@H]1CCCN1)NCC(c1ccc(cc1)Cl)CC(=O)N1CCC(CC1)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 C21H28ClN3O4 MW 421.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28ClN3O4/c22-17-5-3-14(4-6-17)16(13-24-20(27)18-2-1-9-23-18)12-19(26)25-10-7-15(8-11-25)21(28)29/h3-6,15-16,18,23H,1-2,7-13H2,(H,24,27)(H,28,29)/t16-,18-/m0/s1
InChIKey
SDZRRAWIQPNJMD-WMZOPIPTSA-N
Synonyms

1((3R)3(4CHLOROPHENYL)4(((2S)PYRROLIDIN1IUM2CARBONYL)AMINO)BUTANOYL)PIPERIDINE4CARBOXYLATE
1((3R)3(4CHLOROPHENYL)4(((2S)PYRROLIDINE2CARBONYL)AMINO)BUTANOYL)PIPERIDINE4CARBOXYLICACID
1((3R)3(4chlorophenyl)4(Lprolylamino)butanoyl)piperidine4carboxylicacid
1((R)3(4chlorophenyl)4((S)pyrrolidine2carboxamido)butanoyl)piperidine4carboxylicacidhydrochloride
C1CC((NH2+)C1)C(=O)NCC(CC(=O)N2CCC(CC2)C(=O)(O))C3=CC=C(C=C3)Cl
InChI=1SC21H28ClN3O4c22175314(4617)16(132420(27)182192318)1219(26)2510715(81125)21(28)29h3615161823H12713H2(H2427)(H2829)t1618m0s1
MFCD08292727
O=C((C@@H)1CCCN1)NC(C@@H)(c1ccc(cc1)Cl)CC(=O)N1CCC(CC1)C(=O)OCl
O=C((C@@H)1CCCN1)NCC(c1ccc(cc1)Cl)CC(=O)N1CCC(CC1)C(=O)O
ZINC000006764243
ZINC06764243
ZINC6764243

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Available files

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