Vitas-M small molecule compound
methyl 4-[(2S,8'R)-7-chloro-4'-hydroxy-4,6-dimethoxy-1',8'-dimethyl-2',3,6'-trioxo-1',5',6',8',9',10'-hexahydro-2'H,3H-spiro[1-benzofuran-2,7'-pyrimido[4,5-b]quinolin]-5'-yl]benzoate
Catalog ID
STL549387
SMILES COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC2=C(C1=O)C(c1ccc(cc1)C(=O)OC)c1c(N2)n(C)c(=O)nc1O)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 C30H26ClN3O9 MW 608.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H26ClN3O9/c1-12-10-15-19(24(35)30(12)25(36)20-16(40-3)11-17(41-4)22(31)23(20)43-30)18(13-6-8-14(9-7-13)28(38)42-5)21-26(32-15)34(2)29(39)33-27(21)37/h6-9,11-12,18,32H,10H2,1-5H3,(H,33,37,39)/t12-,18?,30+/m1/s1InChIKey
BRDAISCJIJUWMG-IONSFZTLSA-NSynonyms
132351865
InChI=1SC30H26ClN3O9c112101519(24(35)30(12)25(36)2016(403)1117(414)22(31)23(20)4330)18(136814(9713)28(38)425)2126(3215)34(2)29(39)3327(21)37h6911121832H10H215H3(H333739)t1218?30+m1s1
methyl4((2~(S)8~(R))7chloro46dimethoxy18dimethyl2346tetraoxospiro(1benzofuran2758910tetrahydropyrimido(45b)quinoline)5yl)benzoate
methyl4((2S8R)7chloro4hydroxy46dimethoxy18dimethyl236trioxo1568910hexahydro2H3Hspiro(1benzofuran27pyrimido(45b)quinolin)5yl)benzoate
ZINC000824566721
ZINC000824566729
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