Vitas-M small molecule compound
4-{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}benzoic acid
Catalog ID
STL552419
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC2=C(C1=O)C(c1ccc(o1)c1ccc(cc1)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 C32H25ClN4O9 MW 645.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H25ClN4O9/c1-12-10-15-20(26(38)32(12)27(39)22-18(43-2)11-19(44-3)24(33)25(22)46-32)21(23-28(35-15)36-31(34)37-29(23)40)17-9-8-16(45-17)13-4-6-14(7-5-13)30(41)42/h4-9,11-12,21H,10H2,1-3H3,(H,41,42)(H4,34,35,36,37,40)/t12-,21?,32+/m1/s1InChIKey
DGXDIFDQZPYURA-IYCZIWOQSA-NSynonyms
135640659
4(5((2~(S)8~(R))2amino7chloro46dimethoxy8methyl346trioxospiro(1benzofuran2758910tetrahydro3~(H)pyrimido(45b)quinoline)5yl)furan2yl)benzoicacid
4(5((2S8R)2amino7chloro4hydroxy46dimethoxy8methyl36dioxo68910tetrahydro3H5Hspiro(1benzofuran27pyrimido(45b)quinolin)5yl)furan2yl)benzoicacid
InChI=1SC32H25ClN4O9c112101520(26(38)32(12)27(39)2218(432)1119(443)24(33)25(22)4632)21(2328(3515)3631(34)3729(23)40)179816(4517)134614(7513)30(41)42h49111221H10H213H3(H4142)(H43435363740)t1221?32+m1s1
ZINC001547138630
ZINC001547138631
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