Vitas-M small molecule compound

(3R)-4-{[N-(tert-butoxycarbonyl)-L-valyl]amino}-3-(4-chlorophenyl)butanoic acid

Catalog ID
STK616037
SMILES OC(=O)CC(c1ccc(cc1)Cl)CNC(=O)[C@H](C(C)C)NC(=O)OC(C)(C)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 C20H29ClN2O5 MW 412.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H29ClN2O5/c1-12(2)17(23-19(27)28-20(3,4)5)18(26)22-11-14(10-16(24)25)13-6-8-15(21)9-7-13/h6-9,12,14,17H,10-11H2,1-5H3,(H,22,26)(H,23,27)(H,24,25)/t14-,17-/m0/s1
InChIKey
MNKPCLYBMPIUSC-YOEHRIQHSA-N
Synonyms
956766-46-4
(3R)3(4CHLOROPHENYL)4(((2S)3METHYL2((2METHYLPROPAN2YL)OXYCARBONYLAMINO)BUTANOYL)AMINO)BUTANOICACID
(3R)4((N(tertbutoxycarbonyl)Lvalyl)amino)3(4chlorophenyl)butanoicacid
(R)4((S)2((tertbutoxycarbonyl)amino)3methylbutanamido)3(4chlorophenyl)butanoicacid
956766464
CC(C)C(C(=O)NCC(CC(=O)O)C1=CC=C(C=C1)Cl)NC(=O)OC(C)(C)C
InChI=1SC20H29ClN2O5c112(2)17(2319(27)2820(34)5)18(26)221114(1016(24)25)136815(21)9713h69121417H1011H215H3(H2226)(H2327)(H2425)t1417m0s1
MFCD08288706
OC(=O)C(C@H)(c1ccc(cc1)Cl)CNC(=O)(C@H)(C(C)C)NC(=O)OC(C)(C)C
OC(=O)CC(c1ccc(cc1)Cl)CNC(=O)(C@H)(C(C)C)NC(=O)OC(C)(C)C
ZINC000006756051
ZINC6756051

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Available files

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