Vitas-M small molecule compound
1-[9-hydroxy-2-(3-methylbutyl)-10-[4-(methylsulfanyl)phenyl]-2,10-dihydropyrrolo[3',4':6,7]azepino[4,3,2-cd]indol-8(7H)-yl]ethanone
Catalog ID
STL548893
SMILES CSc1ccc(cc1)C1C2=C(O)N(CC2=Nc2c3c1cn(c3ccc2)CCC(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 C27H29N3O2S MW 459.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29N3O2S/c1-16(2)12-13-29-14-20-24(18-8-10-19(33-4)11-9-18)26-22(15-30(17(3)31)27(26)32)28-21-6-5-7-23(29)25(20)21/h5-11,14,16,24,32H,12-13,15H2,1-4H3InChIKey
DVLAJMFVXGPHFC-UHFFFAOYSA-NSynonyms
1(9hydroxy2(3methylbutyl)10(4(methylsulfanyl)phenyl)210dihydropyrrolo(3467)azepino(432cd)indol8(7H)yl)ethanone
InChI=1SC27H29N3O2Sc116(2)121329142024(1881019(334)11918)2622(1530(17(3)31)27(26)32)282165723(29)25(20)21h51114162432H121315H214H3
MFCD31756829
ZINC000409415389
ZINC000409415390
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