Vitas-M small molecule compound
4-amino-7'-oxo-2',3',6,6',7,7',11,12-octahydro-10H-spiro[1,4-dioxepino[2,3-g]pyrido[2,1-a]isoquinoline-2,8'-[1,4]dioxino[2,3-f]indole]-3-carbonitrile
Catalog ID
STK585224
SMILES N#CC1=C(N)N2CCc3c(C2=CC21C(=O)Nc1c2cc2OCCOc2c1)cc1c(c3)OCCCO1
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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 C26H22N4O5 MW 470.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N4O5/c27-13-17-24(28)30-3-2-14-8-20-21(33-5-1-4-32-20)9-15(14)19(30)12-26(17)16-10-22-23(35-7-6-34-22)11-18(16)29-25(26)31/h8-12H,1-7,28H2,(H,29,31)InChIKey
QBDRZCBHSBAURX-UHFFFAOYSA-NSynonyms
904209-17-24amino7oxo2366771112octahydro10Hspiro(14dioxepino(23g)pyrido(21a)isoquinoline28(14)dioxino(23f)indole)3carbonitrile
4amino7oxo23677101112octahydro6Hspiro((14)dioxepino(23g)pyrido(21a)isoquinoline28(14)dioxino(23f)indole)3carbonitrile
904209172
C1COC2=C(C=C3C(=C2)CCN4C3=CC5(C6=CC7=C(C=C6NC5=O)OCCO7)C(=C4N)C#N)OC1
InChI=1SC26H22N4O5c27131724(28)30321482021(335143220)915(14)19(30)1226(17)16102223(35763422)1118(16)2925(26)31h812H1728H2(H2931)
MFCD07638107
ZINC000009430461
ZINC000013576417
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