Vitas-M small molecule compound
methyl 3-(7-chloro-4'-hydroxy-4,6-dimethoxy-6'-methyl-2',3-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[3]en]-3'-yl)-3-(5-oxo-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinolin-6-yl)propanoate
Catalog ID
STL549656
SMILES COC(=O)CC(c1cc2cccc3c2n(c1=O)CCC3)C1=C(O)CC(C2(C1=O)Oc1c(C2=O)c(OC)cc(c1Cl)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 C32H30ClNO9 MW 608.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H30ClNO9/c1-15-11-20(35)24(29(37)32(15)30(38)25-21(40-2)14-22(41-3)26(33)28(25)43-32)18(13-23(36)42-4)19-12-17-8-5-7-16-9-6-10-34(27(16)17)31(19)39/h5,7-8,12,14-15,18,35H,6,9-11,13H2,1-4H3InChIKey
UCXGXHHVRJKTSR-UHFFFAOYSA-NSynonyms
InChI=1SC32H30ClNO9c1151120(35)24(29(37)32(15)30(38)2521(402)1422(413)26(33)28(25)4332)18(1323(36)424)19121785716961034(27(16)17)31(19)39h5781214151835H691113H214H3
methyl3(7chloro4hydroxy46dimethoxy6methyl23dioxo3Hspiro(1benzofuran21cyclohex(3)en)3yl)3(5oxo23dihydro1H5Hpyrido(321ij)quinolin6yl)propanoate
MFCD31757122
ZINC000888089636
ZINC000888089639
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