Vitas-M small molecule compound
1-(4-{5-[8-acetyl-9-hydroxy-2-(3-methylbutyl)-2,7,8,10-tetrahydropyrrolo[3',4':6,7]azepino[4,3,2-cd]indol-10-yl]furan-2-yl}phenyl)ethanone
Catalog ID
STL551158
SMILES CC(CCn1cc2c3c1cccc3N=C1C(=C(O)N(C1)C(=O)C)C2c1ccc(o1)c1ccc(cc1)C(=O)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 C32H31N3O4 MW 521.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H31N3O4/c1-18(2)14-15-34-16-23-29-24(6-5-7-26(29)34)33-25-17-35(20(4)37)32(38)31(25)30(23)28-13-12-27(39-28)22-10-8-21(9-11-22)19(3)36/h5-13,16,18,30,38H,14-15,17H2,1-4H3InChIKey
QTNJNHCOAJJLIN-UHFFFAOYSA-NSynonyms
1(4(5(8acetyl9hydroxy2(3methylbutyl)27810tetrahydropyrrolo(3467)azepino(432cd)indol10yl)furan2yl)phenyl)ethanone
InChI=1SC32H31N3O4c118(2)14153416232924(65726(29)34)33251735(20(4)37)32(38)31(25)30(23)28131227(3928)2210821(91122)19(3)36h51316183038H141517H214H3
MFCD31757981
ZINC000888089948
ZINC000888089949
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