Vitas-M small molecule compound
methyl N-{[4a-hydroxy-1-(4-hydroxy-3-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]acetyl}tryptophanate
Catalog ID
STL512260
SMILES COC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)CN1CCC2(C(C1c1ccc(c(c1)OC)O)CCCC2)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 C30H37N3O6 MW 535.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H37N3O6/c1-38-26-16-19(10-11-25(26)34)28-22-8-5-6-12-30(22,37)13-14-33(28)18-27(35)32-24(29(36)39-2)15-20-17-31-23-9-4-3-7-21(20)23/h3-4,7,9-11,16-17,22,24,28,31,34,37H,5-6,8,12-15,18H2,1-2H3,(H,32,35)InChIKey
GTSHSTJFTSYFBU-UHFFFAOYSA-NSynonyms
4839135
COC(=O)C(Cc1c(nH)c2c1cccc2)NC(=O)CN1CCC2(C((C@@H)1c1ccc(c(c1)OC)O)CCCC2)O
InChI=1SC30H37N3O6c138261619(101125(26)34)28228561230(2237)131433(28)1827(35)3224(29(36)392)1520173123943721(20)23h3479111617222428313437H568121518H212H3(H3235)
methyl2((2(4~(a)hydroxy1(4hydroxy3methoxyphenyl)13456788~(a)octahydroisoquinolin2yl)acetyl)amino)3(1~(H)indol3yl)propanoate
methyl2(2((1R)4ahydroxy1(4hydroxy3methoxyphenyl)octahydroisoquinolin2(1H)yl)acetamido)3(1Hindol3yl)propanoate
METHYL2(2(6HYDROXY2(4HYDROXY3METHOXYPHENYL)3AZABICYCLO(440)DEC3YL)ACETYLAMINO)3INDOL3YLPROPANOATE
methylN((4ahydroxy1(4hydroxy3methoxyphenyl)octahydroisoquinolin2(1H)yl)acetyl)tryptophanate
MFCD04142646
ZINC000248126508
ZINC000248127186
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.