Vitas-M small molecule compound
3-{5-[(2S,8'R)-2'-amino-7-chloro-4'-hydroxy-4,6-dimethoxy-8'-methyl-3,6'-dioxo-6',8',9',10'-tetrahydro-3H,5'H-spiro[1-benzofuran-2,7'-pyrimido[4,5-b]quinolin]-5'-yl]furan-2-yl}-4-chlorobenzoic acid
Catalog ID
STL552190
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC2=C(C1=O)C(c1ccc(o1)c1cc(ccc1Cl)C(=O)O)c1c(N2)nc(nc1O)N)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 C32H24Cl2N4O9 MW 679.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H24Cl2N4O9/c1-11-8-15-20(26(39)32(11)27(40)22-18(44-2)10-19(45-3)24(34)25(22)47-32)21(23-28(36-15)37-31(35)38-29(23)41)17-7-6-16(46-17)13-9-12(30(42)43)4-5-14(13)33/h4-7,9-11,21H,8H2,1-3H3,(H,42,43)(H4,35,36,37,38,41)/t11-,21?,32+/m1/s1InChIKey
ZBULTJKDIADVLV-YWJWCOCESA-NSynonyms
135640467
3(5((2~(S)8~(R))2amino7chloro46dimethoxy8methyl346trioxospiro(1benzofuran2758910tetrahydro3~(H)pyrimido(45b)quinoline)5yl)furan2yl)4chlorobenzoicacid
3(5((2S8R)2amino7chloro4hydroxy46dimethoxy8methyl36dioxo68910tetrahydro3H5Hspiro(1benzofuran27pyrimido(45b)quinolin)5yl)furan2yl)4chlorobenzoicacid
InChI=1SC32H24Cl2N4O9c11181520(26(39)32(11)27(40)2218(442)1019(453)24(34)25(22)4732)21(2328(3615)3731(35)3829(23)41)177616(4617)13912(30(42)43)4514(13)33h4791121H8H213H3(H4243)(H43536373841)t1121?32+m1s1
ZINC001547139031
ZINC001547139035
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