Vitas-M small molecule compound
N-[(3R)-3-(4-chlorophenyl)-4-(L-valylamino)butanoyl]-L-valine
Catalog ID
STL534735
SMILES Clc1ccc(cc1)C(CC(=O)N[C@H](C(=O)O)C(C)C)CNC(=O)[C@H](C(C)C)N
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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 C20H30ClN3O4 MW 411.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H30ClN3O4/c1-11(2)17(22)19(26)23-10-14(13-5-7-15(21)8-6-13)9-16(25)24-18(12(3)4)20(27)28/h5-8,11-12,14,17-18H,9-10,22H2,1-4H3,(H,23,26)(H,24,25)(H,27,28)/t14-,17-,18-/m0/s1InChIKey
KYRRGMCSYMTIAN-WBAXXEDZSA-NSynonyms
(2~(S))2(((3~(R))4(((2~(S))2amino3methylbutanoyl)amino)3(4chlorophenyl)butanoyl)amino)3methylbutanoicacid
(S)2((R)4((S)2amino3methylbutanamido)3(4chlorophenyl)butanamido)3methylbutanoicacidhydrochloride
16408244
Clc1ccc(cc1)(C@@H)(CC(=O)N(C@H)(C(=O)O)C(C)C)CNC(=O)(C@H)(C(C)C)NCl
InChI=1SC20H30ClN3O4c111(2)17(22)19(26)231014(135715(21)8613)916(25)2418(12(3)4)20(27)28h581112141718H91022H214H3(H2326)(H2425)(H2728)t141718m0s1
N((3R)3(4chlorophenyl)4(Lvalylamino)butanoyl)Lvaline
ZINC000009136056
ZINC9136056
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