Vitas-M small molecule compound
4-chloro-3-[5-(7-chloro-6'-hydroxy-4,6-dimethoxy-1',3',8'-trimethyl-2',3,4'-trioxo-1',3',4',5',8',9'-hexahydro-2'H,3H-spiro[1-benzofuran-2,7'-pyrimido[4,5-b]quinolin]-5'-yl)furan-2-yl]benzoic acid
Catalog ID
STL549822
SMILES COc1cc(OC)c(c2c1C(=O)C1(O2)C(C)CC2=Nc3c(C(C2=C1O)c1ccc(o1)c1cc(ccc1Cl)C(=O)O)c(=O)n(c(=O)n3C)C)Cl
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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 C34H27Cl2N3O10 MW 708.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H27Cl2N3O10/c1-13-10-17-22(28(40)34(13)29(41)24-20(46-4)12-21(47-5)26(36)27(24)49-34)23(25-30(37-17)38(2)33(45)39(3)31(25)42)19-9-8-18(48-19)15-11-14(32(43)44)6-7-16(15)35/h6-9,11-13,23,40H,10H2,1-5H3,(H,43,44)InChIKey
DFGNIUHTCAOHQS-UHFFFAOYSA-NSynonyms
4chloro3(5(7chloro6hydroxy46dimethoxy138trimethyl234trioxo134589hexahydro2H3Hspiro(1benzofuran27pyrimido(45b)quinolin)5yl)furan2yl)benzoicacid
InChI=1SC34H27Cl2N3O10c113101722(28(40)34(13)29(41)2420(464)1221(475)26(36)27(24)4934)23(2530(3717)38(2)33(45)39(3)31(25)42)199818(4819)151114(32(43)44)6716(15)35h6911132340H10H215H3(H4344)
MFCD31757227
ZINC000888090125
ZINC000888090128
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