Vitas-M small molecule compound
7-chloro-5'-(7-chloro-1,3-benzodioxol-5-yl)-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
STL551089
SMILES COc1cc(OC)c(c2c1C(=O)C1(O2)C(C)CC2=Nc3c(C(C2=C1O)c1cc(Cl)c2c(c1)OCO2)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 C30H25Cl2N3O9 MW 642.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25Cl2N3O9/c1-11-6-14-19(25(36)30(11)26(37)20-15(40-4)9-16(41-5)22(32)24(20)44-30)18(12-7-13(31)23-17(8-12)42-10-43-23)21-27(33-14)34(2)29(39)35(3)28(21)38/h7-9,11,18,36H,6,10H2,1-5H3InChIKey
WFYNQJVBXBQCDH-UHFFFAOYSA-NSynonyms
7chloro5(7chloro13benzodioxol5yl)6hydroxy46dimethoxy138trimethyl1589tetrahydro2H3Hspiro(1benzofuran27pyrimido(45b)quinoline)234(3H)trione
InChI=1SC30H25Cl2N3O9c11161419(25(36)30(11)26(37)2015(404)916(415)22(32)24(20)4430)18(12713(31)2317(812)42104323)2127(3314)34(2)29(39)35(3)28(21)38h79111836H610H215H3
MFCD31757943
ZINC000888089337
ZINC000888089340
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