Vitas-M small molecule compound
2''-amino-6',6',7''-trimethyl-2',5''-dioxo-5',6'-dihydro-5''H-dispiro[cyclohexane-1,4'-pyrrolo[3,2,1-ij]quinoline-1',4''-pyrano[4,3-b]pyran]-3''-carbonitrile
Catalog ID
STL361441
SMILES N#CC1=C(N)Oc2c(C31C(=O)N1c4c3cccc4C(CC31CCCCC3)(C)C)c(=O)oc(c2)C
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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 C27H27N3O4 MW 457.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O4/c1-15-12-19-20(23(31)33-15)27(18(13-28)22(29)34-19)17-9-7-8-16-21(17)30(24(27)32)26(14-25(16,2)3)10-5-4-6-11-26/h7-9,12H,4-6,10-11,14,29H2,1-3H3InChIKey
NTCSXOIVCVVQFY-UHFFFAOYSA-NSynonyms
2amino667trimethyl25dioxo56dihydro5Hdispiro(cyclohexane14pyrrolo(321ij)quinoline14pyrano(43b)pyran)3carbonitrile
CC1=CC2=C(C(=O)O1)C3(C4=C5C(=CC=C4)C(CC6(N5C3=O)CCCCC6)(C)C)C(=C(O2)N)C#N
InChI=1SC27H27N3O4c115121920(23(31)3315)27(18(1328)22(29)3419)179781621(17)30(24(27)32)26(1425(162)3)105461126h7912H4610111429H213H3
MFCD08087968
ZINC000014162332
ZINC000014162335
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