Vitas-M small molecule compound
ethyl 4-[9-chloro-3'-methyl-5'-oxo-3-(pyridin-2-yl)-2,3,4,4a-tetrahydro-1H,6H-spiro[pyrazino[1,2-a]quinoline-5,4'-pyrazol]-1'(5'H)-yl]benzoate
Catalog ID
STL437415
SMILES CCOC(=O)c1ccc(cc1)N1N=C(C2(C1=O)Cc1ccc(cc1N1C2CN(CC1)c1ccccn1)Cl)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 C29H28ClN5O3 MW 530.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28ClN5O3/c1-3-38-27(36)20-8-11-23(12-9-20)35-28(37)29(19(2)32-35)17-21-7-10-22(30)16-24(21)34-15-14-33(18-25(29)34)26-6-4-5-13-31-26/h4-13,16,25H,3,14-15,17-18H2,1-2H3InChIKey
HMGXSRUEKJVLTR-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3(CC4=C(C=C(C=C4)Cl)N5C3CN(CC5)C6=CC=CC=N6)C(=N2)C
ethyl4(9chloro3methyl5oxo3(pyridin2yl)2344atetrahydro1H6Hspiro(pyrazino(12a)quinoline54pyrazol)1(5H)yl)benzoate
ethyl4(9chloro3methyl5oxo3pyridin2ylspiro(244a6tetrahydro1Hpyrazino(12a)quinoline54pyrazole)1yl)benzoate
InChI=1SC29H28ClN5O3c133827(36)2081123(12920)3528(37)29(19(2)3235)172171022(30)1624(21)34151433(1825(29)34)26645133126h4131625H314151718H212H3
MFCD09992157
ZINC000101391671
ZINC000248288228
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