Vitas-M small molecule compound
(13bS)-13-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-14-methyl-8,13,13b,14-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one
Catalog ID
STL546954
SMILES O=C(N1CCc2c(C1)cccc2)Cn1c2ccccc2c2c1[C@@H]1N(CC2)C(=O)c2c(N1C)cccc2
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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 C30H28N4O2 MW 476.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28N4O2/c1-31-25-12-6-5-11-24(25)30(36)33-17-15-23-22-10-4-7-13-26(22)34(28(23)29(31)33)19-27(35)32-16-14-20-8-2-3-9-21(20)18-32/h2-13,29H,14-19H2,1H3/t29-/m0/s1InChIKey
YTQOUHAPCAGZAB-LJAQVGFWSA-NSynonyms
(1~(S))3(2(34dihydro1~(H)isoquinolin2yl)2oxoethyl)21methyl31321triazapentacyclo(11800^(210)0^(49)0^(1520))henicosa2(10)468151719heptaen14one
(13bS)13(2(34dihydroisoquinolin2(1H)yl)2oxoethyl)14methyl81313b14tetrahydroindolo(2334)pyrido(21b)quinazolin5(7H)one
(S)13(2(34dihydroisoquinolin2(1H)yl)2oxoethyl)14methyl7813b14tetrahydroindolo(2334)pyrido(21b)quinazolin5(13H)one
110206448
InChI=1SC30H28N4O2c1312512651124(25)30(36)331715232210471326(22)34(28(23)29(31)33)1927(35)32161420823921(20)1832h21329H1419H21H3t29m0s1
O=C(N1CCc2c(C1)cccc2)Cn1c2ccccc2c2c1(C@@H)1N(CC2)C(=O)c2c(N1C)cccc2
ZINC000253414836
ZINC253414836
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