Vitas-M small molecule compound

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

Catalog ID
STK606944
SMILES O=C(CC(c1ccc(cc1)Cl)CNC(=O)[C@@H]1CCCN1)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 C18H24ClN3O4 MW 381.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H24ClN3O4/c1-11(18(25)26)22-16(23)9-13(12-4-6-14(19)7-5-12)10-21-17(24)15-3-2-8-20-15/h4-7,11,13,15,20H,2-3,8-10H2,1H3,(H,21,24)(H,22,23)(H,25,26)/t11-,13-,15-/m0/s1
InChIKey
GXXHDESBLWDELV-WHOFXGATSA-N
Synonyms

(2S)2(((3R)3(4CHLOROPHENYL)4(((2S)PYRROLIDIN1IUM2CARBONYL)AMINO)BUTANOYL)AMINO)PROPANOATE
(2S)2(((3R)3(4CHLOROPHENYL)4(((2S)PYRROLIDINE2CARBONYL)AMINO)BUTANOYL)AMINO)PROPANOICACID
(S)2((R)3(4chlorophenyl)4((S)pyrrolidine2carboxamido)butanamido)propanoicacidhydrochloride
CC(C(=O)(O))NC(=O)CC(CNC(=O)C1CCC(NH2+)1)C2=CC=C(C=C2)Cl
InChI=1SC18H24ClN3O4c111(18(25)26)2216(23)913(124614(19)7512)102117(24)153282015h4711131520H23810H21H3(H2124)(H2223)(H2526)t111315m0s1
MFCD08291283
N((3R)3(4chlorophenyl)4(Lprolylamino)butanoyl)Lalanine
O=C(C(C@H)(c1ccc(cc1)Cl)CNC(=O)(C@@H)1CCCN1)N(C@H)(C(=O)O)CCl
O=C(CC(c1ccc(cc1)Cl)CNC(=O)(C@@H)1CCCN1)N(C@H)(C(=O)O)C
ZINC000006759903
ZINC06759903
ZINC6759903

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Available files

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