Vitas-M small molecule compound

7-chloro-6'-hydroxy-4,6-dimethoxy-5'-(8-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-1',3',8'-trimethyl-1',5',8',9'-tetrahydro-2'H,3H-spiro[1-benzofuran-2,7'-pyrimido[4,5-b]quinoline]-2',3,4'(3'H)-trione

Catalog ID
STL549909
SMILES COc1cc(OC)c(c2c1C(=O)C1(O2)C(C)CC2=Nc3c(C(C2=C1O)c1cc(OC)c2c(c1)OCCO2)c(=O)n(c(=O)n3C)C)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 C32H30ClN3O10 MW 652.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H30ClN3O10/c1-13-9-15-21(27(37)32(13)28(38)22-16(41-4)12-17(42-5)24(33)26(22)46-32)20(23-29(34-15)35(2)31(40)36(3)30(23)39)14-10-18(43-6)25-19(11-14)44-7-8-45-25/h10-13,20,37H,7-9H2,1-6H3
InChIKey
PTNIEIVGIACRRZ-UHFFFAOYSA-N
Synonyms

7chloro6hydroxy46dimethoxy5(8methoxy23dihydro14benzodioxin6yl)138trimethyl1589tetrahydro2H3Hspiro(1benzofuran27pyrimido(45b)quinoline)234(3H)trione
InChI=1SC32H30ClN3O10c11391521(27(37)32(13)28(38)2216(414)1217(425)24(33)26(22)4632)20(2329(3415)35(2)31(40)36(3)30(23)39)141018(436)2519(1114)44784525h10132037H79H216H3
MFCD31757280
ZINC000888089589
ZINC000888089592

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Available files

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