Vitas-M small molecule compound
(13bS)-13-[2-(6,7-dimethoxy-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
STL546526
SMILES COc1cc2CN(CCc2cc1OC)C(=O)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 C32H32N4O4 MW 536.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H32N4O4/c1-33-25-10-6-5-9-24(25)32(38)35-15-13-23-22-8-4-7-11-26(22)36(30(23)31(33)35)19-29(37)34-14-12-20-16-27(39-2)28(40-3)17-21(20)18-34/h4-11,16-17,31H,12-15,18-19H2,1-3H3/t31-/m0/s1InChIKey
XRWQMTAEPGNKOS-HKBQPEDESA-NSynonyms
(1~(S))3(2(67dimethoxy34dihydro1~(H)isoquinolin2yl)2oxoethyl)21methyl31321triazapentacyclo(11800^(210)0^(49)0^(1520))henicosa2(10)468151719heptaen14one
(13bS)13(2(67dimethoxy34dihydroisoquinolin2(1H)yl)2oxoethyl)14methyl81313b14tetrahydroindolo(2334)pyrido(21b)quinazolin5(7H)one
(S)13(2(67dimethoxy34dihydroisoquinolin2(1H)yl)2oxoethyl)14methyl7813b14tetrahydroindolo(2334)pyrido(21b)quinazolin5(13H)one
110206410
COc1cc2CN(CCc2cc1OC)C(=O)Cn1c2ccccc2c2c1(C@@H)1N(CC2)C(=O)c2c(N1C)cccc2
InChI=1SC32H32N4O4c133251065924(25)32(38)35151323228471126(22)36(30(23)31(33)35)1929(37)341412201627(392)28(403)1721(20)1834h411161731H12151819H213H3t31m0s1
ZINC000253414512
ZINC253414512
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