Vitas-M small molecule compound

7'-{(E)-[4-hydroxy-1-(2-methoxyethyl)-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}-1,3-dimethyl-1',2',3',3a'-tetrahydro-2H,5'H-spiro[pyrimidine-5,4'-pyrrolo[1,2-a]quinoline]-2,4,6(1H,3H)-trione

Catalog ID
STK582090
SMILES COCCN1C(=O)N=C(/C(=C\c2ccc3c(c2)CC2(C4N3CCC4)C(=O)N(C)C(=O)N(C2=O)C)/C1=O)O

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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 C25H27N5O7 MW 509.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N5O7/c1-27-21(33)25(22(34)28(2)24(27)36)13-15-11-14(6-7-17(15)29-8-4-5-18(25)29)12-16-19(31)26-23(35)30(20(16)32)9-10-37-3/h6-7,11-12,18H,4-5,8-10,13H2,1-3H3,(H,26,31,35)/b16-12+
InChIKey
ZYSXPJMCXYUKGZ-FOWTUZBSSA-N
Synonyms
892623-73-3
7((E)(1(2methoxyethyl)246trioxo13diazinan5ylidene)methyl)13dimethylspiro(13diazinane54233a5tetrahydro1Hpyrrolo(12a)quinoline)246trione
7((E)(4hydroxy1(2methoxyethyl)26dioxo16dihydropyrimidin5(2H)ylidene)methyl)13dimethyl1233atetrahydro2H5Hspiro(pyrimidine54pyrrolo(12a)quinoline)246(1H3H)trion
892623733
COCCN1C(=O)N=C(C(=Cc2ccc3c(c2)CC2(C4N3CCC4)C(=O)N(C)C(=O)N(C2=O)C)C1=O)O
InChI=1SC25H27N5O7c12721(33)25(22(34)28(2)24(27)36)13151114(6717(15)2984518(25)29)121619(31)2623(35)30(20(16)32)910373h67111218H4581013H213H3(H263135)b1612+
MFCD07203972
ZINC000009302977
ZINC000009302980

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.