Vitas-M small molecule compound
ethyl (4-amino-3-cyano-2'-oxo-6,7,11,12-tetrahydro-10H-spiro[1,4-dioxepino[2,3-g]pyrido[2,1-a]isoquinoline-2,3'-indol]-1'(2'H)-yl)acetate
Catalog ID
STK604515
SMILES CCOC(=O)CN1c2ccccc2C2(C1=O)C=C1N(C(=C2C#N)N)CCc2c1cc1OCCCOc1c2
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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 C28H26N4O5 MW 498.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N4O5/c1-2-35-25(33)16-32-21-7-4-3-6-19(21)28(27(32)34)14-22-18-13-24-23(36-10-5-11-37-24)12-17(18)8-9-31(22)26(30)20(28)15-29/h3-4,6-7,12-14H,2,5,8-11,16,30H2,1H3InChIKey
XVEPVDPVXCDKFG-UHFFFAOYSA-NSynonyms
883961-31-7883961317
CCOC(=O)CN1C2=CC=CC=C2C3(C1=O)C=C4C5=CC6=C(C=C5CCN4C(=C3C#N)N)OCCCO6
ethyl(4amino3cyano2oxo671112tetrahydro10Hspiro(14dioxepino(23g)pyrido(21a)isoquinoline23indol)1(2H)yl)acetate
ethyl2(4amino3cyano2oxo7101112tetrahydro6Hspiro((14)dioxepino(23g)pyrido(21a)isoquinoline23indolin)1yl)acetate
InChI=1SC28H26N4O5c123525(33)163221743619(21)28(27(32)34)142218132423(36105113724)1217(18)8931(22)26(30)20(28)1529h34671214H258111630H21H3
MFCD07641562
ZINC000009129942
ZINC000009129944
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