Vitas-M small molecule compound
(13bS)-14-methyl-13-{2-oxo-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethyl}-8,13,13b,14-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one
Catalog ID
STL545962
SMILES O=C(N1CCN(CC1)Cc1cccnc1)Cn1c2[C@@H]3N(CCc2c2c1cccc2)C(=O)c1c(N3C)cccc1
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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 C31H32N6O2 MW 520.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H32N6O2/c1-33-26-10-4-3-9-25(26)31(39)36-14-12-24-23-8-2-5-11-27(23)37(29(24)30(33)36)21-28(38)35-17-15-34(16-18-35)20-22-7-6-13-32-19-22/h2-11,13,19,30H,12,14-18,20-21H2,1H3/t30-/m0/s1InChIKey
LUUYIXMDUMJDIO-PMERELPUSA-NSynonyms
(1~(S))21methyl3(2oxo2(4(pyridin3ylmethyl)piperazin1yl)ethyl)31321triazapentacyclo(11800^(210)0^(49)0^(1520))henicosa2(10)468151719heptaen14one
(13bS)14methyl13(2oxo2(4(pyridin3ylmethyl)piperazin1yl)ethyl)81313b14tetrahydroindolo(2334)pyrido(21b)quinazolin5(7H)one
(S)14methyl13(2oxo2(4(pyridin3ylmethyl)piperazin1yl)ethyl)7813b14tetrahydroindolo(2334)pyrido(21b)quinazolin5(13H)one
110207170
InChI=1SC31H32N6O2c133261043925(26)31(39)36141224238251127(23)37(29(24)30(33)36)2128(38)35171534(161835)20227613321922h211131930H1214182021H21H3t30m0s1
O=C(N1CCN(CC1)Cc1cccnc1)Cn1c2(C@@H)3N(CCc2c2c1cccc2)C(=O)c1c(N3C)cccc1
ZINC000253409427
ZINC253409427
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