Vitas-M small molecule compound
(R)-2-((1S,4R)-4-(((2S,3R)-2-((tert-butoxycarbonyl)amino)-3-methylpentanamido)methyl)cyclohexanecarboxamido)-2-phenylacetic acid
Catalog ID
STL533181
SMILES CCC([C@@H](C(=O)NC[C@@H]1CC[C@H](CC1)C(=O)N[C@H](c1ccccc1)C(=O)O)NC(=O)OC(C)(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 C27H41N3O6 MW 503.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H41N3O6/c1-6-17(2)21(30-26(35)36-27(3,4)5)24(32)28-16-18-12-14-20(15-13-18)23(31)29-22(25(33)34)19-10-8-7-9-11-19/h7-11,17-18,20-22H,6,12-16H2,1-5H3,(H,28,32)(H,29,31)(H,30,35)(H,33,34)/t17?,18-,20-,21-,22+/m0/s1InChIKey
LJFXMYJWGWDOHP-KGZGCZEESA-NSynonyms
(R)2((1S4R)4(((2S3R)2((tertbutoxycarbonyl)amino)3methylpentanamido)methyl)cyclohexanecarboxamido)2phenylaceticacid
CCC((C@@H)(C(=O)NC(C@@H)1CC(C@H)(CC1)C(=O)N(C@H)(c1ccccc1)C(=O)O)NC(=O)OC(C)(C)C)C
InChI=1SC27H41N3O6c1617(2)21(3026(35)3627(34)5)24(32)281618121420(151318)23(31)2922(25(33)34)19108791119h71117182022H61216H215H3(H2832)(H2931)(H3035)(H3334)t17?18202122+m0s1
MFCD06765591
ZINC000252694490
ZINC000252694491
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