Vitas-M small molecule compound
phenyl{[(4-{[(1,2,3,4-tetrahydroisoquinolin-3-ylcarbonyl)amino]methyl}cyclohexyl)carbonyl]amino}acetic acid
Catalog ID
STK620697
SMILES O=C(C1CCC(CC1)CNC(=O)C1NCc2c(C1)cccc2)NC(c1ccccc1)C(=O)O
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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 C26H31N3O4 MW 449.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31N3O4/c30-24(29-23(26(32)33)18-6-2-1-3-7-18)19-12-10-17(11-13-19)15-28-25(31)22-14-20-8-4-5-9-21(20)16-27-22/h1-9,17,19,22-23,27H,10-16H2,(H,28,31)(H,29,30)(H,32,33)InChIKey
NTLOSRFHIIJIAF-UHFFFAOYSA-NSynonyms
(S)2phenyl2((1S4S)4(((S)1234tetrahydroisoquinoline3carboxamido)methyl)cyclohexanecarboxamido)aceticacidhydrochloride
2phenyl2((4((1234tetrahydroisoquinoline3carbonylamino)methyl)cyclohexanecarbonyl)amino)aceticacid
C1CC(CCC1CNC(=O)C2CC3=CC=CC=C3CN2)C(=O)NC(C4=CC=CC=C4)C(=O)O
InChI=1SC26H31N3O4c3024(2923(26(32)33)186213718)19121017(111319)152825(31)221420845921(20)162722h191719222327H1016H2(H2831)(H2930)(H3233)
MFCD18158877
O=C((C@@H)1CC(C@H)(CC1)CNC(=O)(C@H)1NCc2c(C1)cccc2)N(C@@H)(c1ccccc1)C(=O)OCl
phenyl(((4(((1234tetrahydroisoquinolin3ylcarbonyl)amino)methyl)cyclohexyl)carbonyl)amino)aceticacid
ZINC000009575853
ZINC000025107279
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