Vitas-M small molecule compound
methyl 4-[(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]benzoate
Catalog ID
STL552609
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC2=C(C1=O)C(c1ccc(cc1)C(=O)OC)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 C29H25ClN4O8 MW 592.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25ClN4O8/c1-11-9-14-18(23(35)29(11)24(36)19-15(39-2)10-16(40-3)21(30)22(19)42-29)17(12-5-7-13(8-6-12)27(38)41-4)20-25(32-14)33-28(31)34-26(20)37/h5-8,10-11,17H,9H2,1-4H3,(H4,31,32,33,34,37)/t11-,17?,29+/m1/s1InChIKey
ZGWNJKVXWUJOGQ-JADFUFTBSA-NSynonyms
135640817
InChI=1SC29H25ClN4O8c11191418(23(35)29(11)24(36)1915(392)1016(403)21(30)22(19)4229)17(125713(8612)27(38)414)2025(3214)3328(31)3426(20)37h58101117H9H214H3(H43132333437)t1117?29+m1s1
methyl4((2~(S)8~(R))2amino7chloro46dimethoxy8methyl346trioxospiro(1benzofuran2758910tetrahydro3~(H)pyrimido(45b)quinoline)5yl)benzoate
methyl4((2S8R)2amino7chloro4hydroxy46dimethoxy8methyl36dioxo68910tetrahydro3H5Hspiro(1benzofuran27pyrimido(45b)quinolin)5yl)benzoate
ZINC001547139037
ZINC001547139039
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