Vitas-M small molecule compound
7'-{(E)-[1-(butan-2-yl)-4-hydroxy-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
STK580380
SMILES CCC(N1C(=O)N=C(/C(=C\c2ccc3c(c2)CC2(C4N3CCC4)C(=O)N(C)C(=O)N(C2=O)C)/C1=O)O)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 C26H29N5O6 MW 507.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N5O6/c1-5-14(2)31-21(33)17(20(32)27-24(31)36)12-15-8-9-18-16(11-15)13-26(19-7-6-10-30(18)19)22(34)28(3)25(37)29(4)23(26)35/h8-9,11-12,14,19H,5-7,10,13H2,1-4H3,(H,27,32,36)/b17-12+InChIKey
YUEMAVXKPJHJRD-SFQUDFHCSA-NSynonyms
892624-88-37((E)(1(butan2yl)4hydroxy26dioxo16dihydropyrimidin5(2H)ylidene)methyl)13dimethyl1233atetrahydro2H5Hspiro(pyrimidine54pyrrolo(12a)quinoline)246(1H3H)trione
7((E)(1butan2yl246trioxo13diazinan5ylidene)methyl)13dimethylspiro(13diazinane54233a5tetrahydro1Hpyrrolo(12a)quinoline)246trione
892624883
CCC(C)N1C(=O)C(=CC2=CC3=C(C=C2)N4CCCC4C5(C3)C(=O)N(C(=O)N(C5=O)C)C)C(=O)NC1=O
CCC(N1C(=O)N=C(C(=Cc2ccc3c(c2)CC2(C4N3CCC4)C(=O)N(C)C(=O)N(C2=O)C)C1=O)O)C
InChI=1SC26H29N5O6c1514(2)3121(33)17(20(32)2724(31)36)1215891816(1115)1326(19761030(18)19)22(34)28(3)25(37)29(4)23(26)35h8911121419H571013H214H3(H273236)b1712+
MFCD07204135
ZINC000009087745
ZINC000009240362
Check stock
See real-time availability and sample size for STK580380 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.