Vitas-M small molecule compound
1-[10-(1,3-benzodioxol-5-yl)-9-hydroxy-2-(3-methylbutyl)-2,10-dihydropyrrolo[3',4':6,7]azepino[4,3,2-cd]indol-8(7H)-yl]ethanone
Catalog ID
STL550298
SMILES CC(CCn1cc2c3c1cccc3N=C1C(=C(O)N(C1)C(=O)C)C2c1ccc2c(c1)OCO2)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 C27H27N3O4 MW 457.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O4/c1-15(2)9-10-29-12-18-24(17-7-8-22-23(11-17)34-14-33-22)26-20(13-30(16(3)31)27(26)32)28-19-5-4-6-21(29)25(18)19/h4-8,11-12,15,24,32H,9-10,13-14H2,1-3H3InChIKey
KWYLMCVCJSCXNS-UHFFFAOYSA-NSynonyms
1(10(13benzodioxol5yl)9hydroxy2(3methylbutyl)210dihydropyrrolo(3467)azepino(432cd)indol8(7H)yl)ethanone
InChI=1SC27H27N3O4c115(2)91029121824(17782223(1117)34143322)2620(1330(16(3)31)27(26)32)281954621(29)25(18)19h481112152432H9101314H213H3
MFCD31757507
ZINC000888089530
ZINC000888089531
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