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(5Z)-1-cyclopropyl-5-{[(2',6'-dihydroxy-3-methyl-4'-oxo-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-8-yl)amino]methylidene}-2-sulfanylpyrimidine-4,6(1H,5H)-dione

Catalog ID
STK577304
SMILES CN1CCN2C(C1)C1(Cc3c2ccc(c3)N/C=C\2/C(=O)N=C(N(C2=O)C2CC2)S)C(=NC(=NC1=O)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 C24H25N7O5S MW 523.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25N7O5S/c1-29-6-7-30-16-5-2-13(25-10-15-18(32)26-23(37)31(19(15)33)14-3-4-14)8-12(16)9-24(17(30)11-29)20(34)27-22(36)28-21(24)35/h2,5,8,10,14,17,25H,3-4,6-7,9,11H2,1H3,(H,26,32,37)(H2,27,28,34,35,36)/b15-10-
InChIKey
WOPMQWANXUCKDP-GDNBJRDFSA-N
Synonyms

(5Z)1cyclopropyl5(((26dihydroxy3methyl4oxo2344atetrahydro1H4H6Hspiro(pyrazino(12a)quinoline55pyrimidin)8yl)amino)methylidene)2sulfanylpyrimidine46(1H5H)dione
8(((Z)(1cyclopropyl46dioxo2sulfanylidene13diazinan5ylidene)methyl)amino)3methylspiro(13diazinane55244a6tetrahydro1Hpyrazino(12a)quinoline)246trione
CN1CCN2C(C1)C1(Cc3c2ccc(c3)NC=C2C(=O)N=C(N(C2=O)C2CC2)S)C(=NC(=NC1=O)O)O
CN1CCN2C(C1)C3(CC4=C2C=CC(=C4)NC=C5C(=O)NC(=S)N(C5=O)C6CC6)C(=O)NC(=O)NC3=O
InChI=1SC24H25N7O5Sc1296730165213(25101518(32)2623(37)31(19(15)33)143414)812(16)924(17(30)1129)20(34)2722(36)2821(24)35h25810141725H3467911H21H3(H263237)(H22728343536)b1510
MFCD07207074
ZINC000016996090
ZINC000245328705

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Available files

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

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