Vitas-M small molecule compound
1-[9-hydroxy-10-(8-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-2-(propan-2-yl)-2,10-dihydropyrrolo[3',4':6,7]azepino[4,3,2-cd]indol-8(7H)-yl]ethanone
Catalog ID
STL546228
SMILES COc1cc(cc2c1OCCO2)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 C27H27N3O5 MW 473.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O5/c1-14(2)29-12-17-23(16-10-21(33-4)26-22(11-16)34-8-9-35-26)25-19(13-30(15(3)31)27(25)32)28-18-6-5-7-20(29)24(17)18/h5-7,10-12,14,23,32H,8-9,13H2,1-4H3InChIKey
SWCPETAMYKDARM-UHFFFAOYSA-NSynonyms
1(9hydroxy10(8methoxy23dihydro14benzodioxin6yl)2(propan2yl)210dihydropyrrolo(3467)azepino(432cd)indol8(7H)yl)ethanone
InChI=1SC27H27N3O5c114(2)29121723(161021(334)2622(1116)34893526)2519(1330(15(3)31)27(25)32)281865720(29)24(17)18h571012142332H8913H214H3
MFCD31756368
ZINC000409414322
ZINC000409414326
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