Vitas-M small molecule compound

N-{(3R)-3-(4-chlorophenyl)-4-[(piperidin-4-ylcarbonyl)amino]butanoyl}-L-tryptophan

Catalog ID
STK603173
SMILES O=C(CC(c1ccc(cc1)Cl)CNC(=O)C1CCNCC1)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2

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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 C27H31ClN4O4 MW 511.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31ClN4O4/c28-21-7-5-17(6-8-21)19(15-31-26(34)18-9-11-29-12-10-18)14-25(33)32-24(27(35)36)13-20-16-30-23-4-2-1-3-22(20)23/h1-8,16,18-19,24,29-30H,9-15H2,(H,31,34)(H,32,33)(H,35,36)/t19-,24-/m0/s1
InChIKey
BKZLTYOZHKWWND-CYFREDJKSA-N
Synonyms

(2S)2(((3R)3(4chlorophenyl)4(piperidine4carbonylamino)butanoyl)amino)3(1Hindol3yl)propanoicacid
(S)2((R)3(4chlorophenyl)4(piperidine4carboxamido)butanamido)3(1Hindol3yl)propanoicacidhydrochloride
C1CNCCC1C(=O)NCC(CC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O)C4=CC=C(C=C4)Cl
InChI=1SC27H31ClN4O4c28217517(6821)19(153126(34)1891129121018)1425(33)3224(27(35)36)1320163023421322(20)23h18161819242930H915H2(H3134)(H3233)(H3536)t1924m0s1
MFCD08290344
N((3R)3(4chlorophenyl)4((piperidin4ylcarbonyl)amino)butanoyl)Ltryptophan
O=C(C(C@H)(c1ccc(cc1)Cl)CNC(=O)C1CCNCC1)N(C@H)(C(=O)O)Cc1c(nH)c2c1cccc2Cl
O=C(CC(c1ccc(cc1)Cl)CNC(=O)C1CCNCC1)N(C@H)(C(=O)O)Cc1c(nH)c2c1cccc2
ZINC000008769665
ZINC08769665
ZINC8769665

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Available files

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