Vitas-M small molecule compound
4-[(3-acetyl-1',3'-dimethyl-2',4',6'-trioxo-1',2,3,3',4,4',4a,6'-octahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-8-yl)amino]-4-oxobutanoic acid
Catalog ID
STK591696
SMILES OC(=O)CCC(=O)Nc1ccc2c(c1)CC1(C3N2CCN(C3)C(=O)C)C(=O)N(C)C(=O)N(C1=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 C23H27N5O7 MW 485.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27N5O7/c1-13(29)27-8-9-28-16-5-4-15(24-18(30)6-7-19(31)32)10-14(16)11-23(17(28)12-27)20(33)25(2)22(35)26(3)21(23)34/h4-5,10,17H,6-9,11-12H2,1-3H3,(H,24,30)(H,31,32)InChIKey
BOUTZDAYJSGFDC-UHFFFAOYSA-NSynonyms
900881-04-14((3acetyl13dimethyl246trioxo1223344a466decahydro1Hspiro(pyrazino(12a)quinoline55pyrimidin)8yl)amino)4oxobutanoicacid
4((3acetyl13dimethyl246trioxo1233444a6octahydro1H2H6Hspiro(pyrazino(12a)quinoline55pyrimidin)8yl)amino)4oxobutanoicacid
4((3acetyl13dimethyl246trioxospiro(13diazinane55244a6tetrahydro1Hpyrazino(12a)quinoline)8yl)amino)4oxobutanoicacid
900881041
CC(=O)N1CCN2C(C1)C3(CC4=C2C=CC(=C4)NC(=O)CCC(=O)O)C(=O)N(C(=O)N(C3=O)C)C
InChI=1SC23H27N5O7c113(29)278928165415(2418(30)6719(31)32)1014(16)1123(17(28)1227)20(33)25(2)22(35)26(3)21(23)34h451017H691112H213H3(H2430)(H3132)
MFCD06778842
ZINC000009488144
ZINC000009488146
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