Vitas-M small molecule compound
1-{9-hydroxy-10-[4-(octyloxy)phenyl]-2,10-dihydropyrrolo[3',4':6,7]azepino[4,3,2-cd]indol-8(7H)-yl}ethanone
Catalog ID
STL552264
SMILES CCCCCCCCOc1ccc(cc1)C1C2=C(O)N(CC2=Nc2c3c1c[nH]c3ccc2)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 C29H33N3O3 MW 471.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H33N3O3/c1-3-4-5-6-7-8-16-35-21-14-12-20(13-15-21)26-22-17-30-23-10-9-11-24(27(22)23)31-25-18-32(19(2)33)29(34)28(25)26/h9-15,17,26,30,34H,3-8,16,18H2,1-2H3InChIKey
BQHMWMAELOJTIL-UHFFFAOYSA-NSynonyms
1(9hydroxy10(4(octyloxy)phenyl)210dihydropyrrolo(3467)azepino(432cd)indol8(7H)yl)ethanone
InChI=1SC29H33N3O3c1345678163521141220(131521)26221730231091124(27(22)23)31251832(19(2)33)29(34)28(25)26h91517263034H381618H212H3
ZINC001547211007
ZINC001547211008
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