Vitas-M small molecule compound
2-[(3-benzyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]-N-[6-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-6-oxohexyl]acetamide
Catalog ID
STL002202
SMILES O=C(COc1ccc2c(c1)oc(=O)c(c2C)Cc1ccccc1)NCCCCCC(=O)N1CCC2(C(C1)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 C34H42N2O6 MW 574.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H42N2O6/c1-24-28-15-14-27(21-30(28)42-33(39)29(24)20-25-10-4-2-5-11-25)41-23-31(37)35-18-9-3-6-13-32(38)36-19-17-34(40)16-8-7-12-26(34)22-36/h2,4-5,10-11,14-15,21,26,40H,3,6-9,12-13,16-20,22-23H2,1H3,(H,35,37)InChIKey
AFULRSYXYZZCLS-UHFFFAOYSA-NSynonyms
2((3BENZYL4METHYL2OXO2HCHROMEN7YL)OXY)N(6(4AHYDROXYOCTAHYDROISOQUINOLIN2(1H)YL)6OXOHEXYL)ACETAMIDE
CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)NCCCCCC(=O)N3CCC4(CCCCC4C3)O)CC5=CC=CC=C5
InChI=1SC34H42N2O6c12428151427(2130(28)4233(39)29(24)2025104251125)412331(37)35189361332(38)36191734(40)16871226(34)2236h24510111415212640H369121316202223H21H3(H3537)
MFCD07210725
N(6(4ahydroxy13456788aoctahydroisoquinolin2yl)6oxohexyl)2(3benzyl4methyl2oxochromen7yl)oxyacetamide
ZINC000070687541
ZINC000103520507
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