Vitas-M small molecule compound
methyl {3-[8-acetyl-9-hydroxy-2-(2-methylpropyl)-2,7,8,10-tetrahydropyrrolo[3',4':6,7]azepino[4,3,2-cd]indol-10-yl]phenoxy}acetate
Catalog ID
STL551085
SMILES COC(=O)COc1cccc(c1)C1C2=C(O)N(CC2=Nc2c3c1cn(c3ccc2)CC(C)C)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 C28H29N3O5 MW 487.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N3O5/c1-16(2)12-30-13-20-25(18-7-5-8-19(11-18)36-15-24(33)35-4)27-22(14-31(17(3)32)28(27)34)29-21-9-6-10-23(30)26(20)21/h5-11,13,16,25,34H,12,14-15H2,1-4H3InChIKey
PKHPFCKUMQVDOL-UHFFFAOYSA-NSynonyms
InChI=1SC28H29N3O5c116(2)1230132025(1875819(1118)361524(33)354)2722(1431(17(3)32)28(27)34)2921961023(30)26(20)21h51113162534H121415H214H3
methyl(3(8acetyl9hydroxy2(2methylpropyl)27810tetrahydropyrrolo(3467)azepino(432cd)indol10yl)phenoxy)acetate
MFCD31757941
ZINC000888089919
ZINC000888089920
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