Vitas-M small molecule compound

(11aS)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-methoxyphenyl)-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione

Catalog ID
STL545985
SMILES COc1cccc(c1)C1N2[C@@H](Cc3c1[nH]c1c3cccc1)C(=O)N(C2=O)c1ccc2c(c1)OCCO2

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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 C28H23N3O5 MW 481.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23N3O5/c1-34-18-6-4-5-16(13-18)26-25-20(19-7-2-3-8-21(19)29-25)15-22-27(32)30(28(33)31(22)26)17-9-10-23-24(14-17)36-12-11-35-23/h2-10,13-14,22,26,29H,11-12,15H2,1H3/t22-,26?/m0/s1
InChIKey
QKXPHLCBMWYFHQ-CHQVSRGASA-N
Synonyms
956993-21-8
(11aS)2(23dihydro14benzodioxin6yl)5(3methoxyphenyl)561111atetrahydro1Himidazo(1516)pyrido(34b)indole13(2H)dione
(11aS)2(23dihydrobenzo(b)(14)dioxin6yl)5(3methoxyphenyl)561111atetrahydro1Himidazo(1516)pyrido(34b)indole13(2H)dione
(15~(S))13(23dihydro14benzodioxin6yl)10(3methoxyphenyl)81113triazatetracyclo(7700^(27)0^(1115))hexadeca1(9)246tetraene1214dione
16399976
956993218
COc1cccc(c1)C1N2(C@@H)(Cc3c1(nH)c1c3cccc1)C(=O)N(C2=O)c1ccc2c(c1)OCCO2
InChI=1SC28H23N3O5c1341864516(1318)262520(19723821(19)2925)152227(32)30(28(33)31(22)26)179102324(1417)3612113523h2101314222629H111215H21H3t2226?m0s1
MFCD04146841
ZINC000002107727
ZINC000002107728

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Available files

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