Vitas-M small molecule compound
1-{9-hydroxy-10-[3-methoxy-4-(propan-2-yloxy)phenyl]-2-(propan-2-yl)-2,10-dihydropyrrolo[3',4':6,7]azepino[4,3,2-cd]indol-8(7H)-yl}ethanone
Catalog ID
STL547333
SMILES COc1cc(ccc1OC(C)C)C1C2=C(O)N(CC2=Nc2c3c1cn(c3ccc2)C(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 C28H31N3O4 MW 473.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O4/c1-15(2)30-13-19-25(18-10-11-23(35-16(3)4)24(12-18)34-6)27-21(14-31(17(5)32)28(27)33)29-20-8-7-9-22(30)26(19)20/h7-13,15-16,25,33H,14H2,1-6H3InChIKey
FVRIETPZAHMFIQ-UHFFFAOYSA-NSynonyms
1(9hydroxy10(3methoxy4(propan2yloxy)phenyl)2(propan2yl)210dihydropyrrolo(3467)azepino(432cd)indol8(7H)yl)ethanone
InChI=1SC28H31N3O4c115(2)30131925(18101123(3516(3)4)24(1218)346)2721(1431(17(5)32)28(27)33)292087922(30)26(19)20h71315162533H14H216H3
MFCD31756549
ZINC000409413517
ZINC000409413521
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