Vitas-M small molecule compound
7-chloro-5'-(2-hydroxy-7-methoxyquinolin-3-yl)-4,6-dimethoxy-1',3',8'-trimethyl-5',8',9',10'-tetrahydro-2'H,3H-spiro[1-benzofuran-2,7'-pyrimido[4,5-b]quinoline]-2',3,4',6'(1'H,3'H)-tetrone
Catalog ID
STL549603
SMILES COc1ccc2c(c1)nc(c(c2)C1c2c(NC3=C1C(=O)C1(C(C3)C)Oc3c(C1=O)c(OC)cc(c3Cl)OC)n(C)c(=O)n(c2=O)C)O
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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 C33H29ClN4O9 MW 661.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H29ClN4O9/c1-13-9-18-22(27(39)33(13)28(40)23-19(45-5)12-20(46-6)25(34)26(23)47-33)21(24-29(35-18)37(2)32(43)38(3)31(24)42)16-10-14-7-8-15(44-4)11-17(14)36-30(16)41/h7-8,10-13,21,35H,9H2,1-6H3,(H,36,41)InChIKey
OODVGTBSAXGLAP-UHFFFAOYSA-NSynonyms
132286222
7chloro46dimethoxy5(7methoxy2oxo1~(H)quinolin3yl)138trimethylspiro(1benzofuran2758910tetrahydropyrimido(45b)quinoline)2346tetrone
7chloro5(2hydroxy7methoxyquinolin3yl)46dimethoxy138trimethyl58910tetrahydro2H3Hspiro(1benzofuran27pyrimido(45b)quinoline)2346(1H3H)tetrone
InChI=1SC33H29ClN4O9c11391822(27(39)33(13)28(40)2319(455)1220(466)25(34)26(23)4733)21(2429(3518)37(2)32(43)38(3)31(24)42)1610147815(444)1117(14)3630(16)41h7810132135H9H216H3(H3641)
MFCD31757086
ZINC000604404488
ZINC000888089902
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