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7'-{(E)-[1-(2-methoxyethyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-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
STK571738
SMILES COCCN1C(=NC(=O)/C(=C\c2ccc3c(c2)CC2(C4N3CCC4)C(=O)N(C)C(=O)N(C2=O)C)/C1=O)S

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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 C25H27N5O6S MW 525.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N5O6S/c1-27-21(33)25(22(34)28(2)24(27)35)13-15-11-14(6-7-17(15)29-8-4-5-18(25)29)12-16-19(31)26-23(37)30(20(16)32)9-10-36-3/h6-7,11-12,18H,4-5,8-10,13H2,1-3H3,(H,26,31,37)/b16-12+
InChIKey
LMBDYAPVIPYKIP-FOWTUZBSSA-N
Synonyms
903454-26-2
(E)7((2mercapto1(2methoxyethyl)46dioxo16dihydropyrimidin5(4H)ylidene)methyl)13dimethyl233a5tetrahydro1H1Hspiro(pyrimidine54pyrrolo(12a)quinoline)246(3H)trione
7((E)(1(2methoxyethyl)46dioxo2sulfanyl16dihydropyrimidin5(4H)ylidene)methyl)13dimethyl1233atetrahydro2H5Hspiro(pyrimidine54pyrrolo(12a)quinoline)246(1H3H)trio
7((E)(1(2methoxyethyl)46dioxo2sulfanylidene13diazinan5ylidene)methyl)13dimethylspiro(13diazinane54233a5tetrahydro1Hpyrrolo(12a)quinoline)246trione
903454262
CN1C(=O)C2(CC3=C(C=CC(=C3)C=C4C(=O)NC(=S)N(C4=O)CCOC)N5C2CCC5)C(=O)N(C1=O)C
COCCN1C(=NC(=O)C(=Cc2ccc3c(c2)CC2(C4N3CCC4)C(=O)N(C)C(=O)N(C2=O)C)C1=O)S
InChI=1SC25H27N5O6Sc12721(33)25(22(34)28(2)24(27)35)13151114(6717(15)2984518(25)29)121619(31)2623(37)30(20(16)32)910363h67111218H4581013H213H3(H263137)b1612+
MFCD06794577
ZINC000009430140
ZINC000009433918

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Available files

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