Vitas-M small molecule compound

N-[(3R)-3-(4-chlorophenyl)-4-{[(3S)-1,2,3,4-tetrahydroisoquinolin-3-ylcarbonyl]amino}butanoyl]-D-valine

Catalog ID
STK601368
SMILES O=C(CC(c1ccc(cc1)Cl)CNC(=O)[C@H]1NCc2c(C1)cccc2)N[C@@H](C(=O)O)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 C25H30ClN3O4 MW 471.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30ClN3O4/c1-15(2)23(25(32)33)29-22(30)12-19(16-7-9-20(26)10-8-16)14-28-24(31)21-11-17-5-3-4-6-18(17)13-27-21/h3-10,15,19,21,23,27H,11-14H2,1-2H3,(H,28,31)(H,29,30)(H,32,33)/t19-,21-,23+/m0/s1
InChIKey
WFFHCCZWNYBRTB-IEIRFRATSA-N
Synonyms

(2R)2(((3R)3(4chlorophenyl)4(((3S)1234tetrahydroisoquinoline3carbonyl)amino)butanoyl)amino)3methylbutanoicacid
(R)2((R)3(4chlorophenyl)4((S)1234tetrahydroisoquinoline3carboxamido)butanamido)3methylbutanoicacidhydrochloride
CC(C)C(C(=O)O)NC(=O)CC(CNC(=O)C1CC2=CC=CC=C2CN1)C3=CC=C(C=C3)Cl
InChI=1SC25H30ClN3O4c115(2)23(25(32)33)2922(30)1219(167920(26)10816)142824(31)211117534618(17)132721h3101519212327H1114H212H3(H2831)(H2930)(H3233)t192123+m0s1
MFCD08290272
N((3R)3(4chlorophenyl)4(((3S)1234tetrahydroisoquinolin3ylcarbonyl)amino)butanoyl)Dvaline
O=C(C(C@H)(c1ccc(cc1)Cl)CNC(=O)(C@H)1NCc2c(C1)cccc2)N(C@@H)(C(=O)O)C(C)CCl
O=C(CC(c1ccc(cc1)Cl)CNC(=O)(C@H)1NCc2c(C1)cccc2)N(C@@H)(C(=O)O)C(C)C
ZINC000009410491
ZINC09410491
ZINC9410491

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Available files

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