Vitas-M small molecule compound
7-chloro-5'-(3-chloro-4-hydroxyphenyl)-6'-hydroxy-4,6-dimethoxy-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
STL549358
SMILES COc1cc(OC)c(c2c1C(=O)C1(O2)C(C)CC2=Nc3c(C(C2=C1O)c1ccc(c(c1)Cl)O)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 C29H25Cl2N3O8 MW 614.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25Cl2N3O8/c1-11-8-14-19(24(36)29(11)25(37)20-16(40-4)10-17(41-5)22(31)23(20)42-29)18(12-6-7-15(35)13(30)9-12)21-26(32-14)33(2)28(39)34(3)27(21)38/h6-7,9-11,18,35-36H,8H2,1-5H3InChIKey
UHPFMLHXJTZKEN-UHFFFAOYSA-NSynonyms
7chloro5(3chloro4hydroxyphenyl)6hydroxy46dimethoxy138trimethyl1589tetrahydro2H3Hspiro(1benzofuran27pyrimido(45b)quinoline)234(3H)trione
InChI=1SC29H25Cl2N3O8c11181419(24(36)29(11)25(37)2016(404)1017(415)22(31)23(20)4229)18(126715(35)13(30)912)2126(3214)33(2)28(39)34(3)27(21)38h67911183536H8H215H3
MFCD31756940
ZINC000952961525
ZINC000952961530
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