Vitas-M small molecule compound
(2S,3S)-2-((R)-4-((S)-2-amino-3-methylbutanamido)-3-(4-chlorophenyl)butanamido)-3-hydroxybutanoic acid hydrochloride
Catalog ID
STL534690
SMILES O=C(CC(c1ccc(cc1)Cl)CNC(=O)[C@H](C(C)C)N)N[C@H](C(=O)O)C(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 C19H28ClN3O5 MW 413.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H28ClN3O5/c1-10(2)16(21)18(26)22-9-13(12-4-6-14(20)7-5-12)8-15(25)23-17(11(3)24)19(27)28/h4-7,10-11,13,16-17,24H,8-9,21H2,1-3H3,(H,22,26)(H,23,25)(H,27,28)/t11?,13-,16-,17-/m0/s1InChIKey
NBDKSVTYZKWFER-BAJBGGCJSA-NSynonyms
(2~(S))2(((3~(R))4(((2~(S))2amino3methylbutanoyl)amino)3(4chlorophenyl)butanoyl)amino)3hydroxybutanoicacid
(2S3S)2((R)4((S)2amino3methylbutanamido)3(4chlorophenyl)butanamido)3hydroxybutanoicacidhydrochloride
16407944
InChI=1SC19H28ClN3O5c110(2)16(21)18(26)22913(124614(20)7512)815(25)2317(11(3)24)19(27)28h47101113161724H8921H213H3(H2226)(H2325)(H2728)t11?131617m0s1
MFCD08742263
O=C(C(C@H)(c1ccc(cc1)Cl)CNC(=O)(C@H)(C(C)C)N)N(C@H)(C(=O)O)C(O)CCl
ZINC000012892719
ZINC000012892726
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