Vitas-M small molecule compound
ethyl 4-[8-bromo-3-(4-methoxyphenyl)-3'-methyl-5'-oxo-2,3,4,4a-tetrahydro-1H,6H-spiro[pyrazino[1,2-a]quinoline-5,4'-pyrazol]-1'(5'H)-yl]benzoate
Catalog ID
STL437422
SMILES CCOC(=O)c1ccc(cc1)N1N=C(C2(C1=O)Cc1cc(Br)ccc1N1C2CN(CC1)c1ccc(cc1)OC)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 C31H31BrN4O4 MW 603.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31BrN4O4/c1-4-40-29(37)21-5-8-25(9-6-21)36-30(38)31(20(2)33-36)18-22-17-23(32)7-14-27(22)35-16-15-34(19-28(31)35)24-10-12-26(39-3)13-11-24/h5-14,17,28H,4,15-16,18-19H2,1-3H3InChIKey
XSYZUDYDFMATCI-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3(CC4=C(C=CC(=C4)Br)N5C3CN(CC5)C6=CC=C(C=C6)OC)C(=N2)C
ethyl4(8bromo3(4methoxyphenyl)3methyl5oxo2344atetrahydro1H6Hspiro(pyrazino(12a)quinoline54pyrazol)1(5H)yl)benzoate
ethyl4(8bromo3(4methoxyphenyl)3methyl5oxospiro(244a6tetrahydro1Hpyrazino(12a)quinoline54pyrazole)1yl)benzoate
InChI=1SC31H31BrN4O4c144029(37)215825(9621)3630(38)31(20(2)3336)18221723(32)71427(22)35161534(1928(31)35)24101226(393)131124h5141728H415161819H213H3
MFCD09992164
ZINC000101391652
ZINC000248323341
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