Vitas-M small molecule compound
7-chloro-6'-hydroxy-4,6-dimethoxy-1',3',8'-trimethyl-5'-[3-(pyrimidin-2-yloxy)phenyl]-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
STL550474
SMILES COc1cc(OC)c(c2c1C(=O)C1(O2)C(C)CC2=Nc3c(C(C2=C1O)c1cccc(c1)Oc1ncccn1)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 C33H28ClN5O8 MW 658.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H28ClN5O8/c1-15-12-18-22(27(40)33(15)28(41)23-19(44-4)14-20(45-5)25(34)26(23)47-33)21(24-29(37-18)38(2)32(43)39(3)30(24)42)16-8-6-9-17(13-16)46-31-35-10-7-11-36-31/h6-11,13-15,21,40H,12H2,1-5H3InChIKey
XCRUMCCNGOGRTO-UHFFFAOYSA-NSynonyms
7chloro6hydroxy46dimethoxy138trimethyl5(3(pyrimidin2yloxy)phenyl)1589tetrahydro2H3Hspiro(1benzofuran27pyrimido(45b)quinoline)234(3H)trione
InChI=1SC33H28ClN5O8c115121822(27(40)33(15)28(41)2319(444)1420(455)25(34)26(23)4733)21(2429(3718)38(2)32(43)39(3)30(24)42)1686917(1316)463135107113631h61113152140H12H215H3
MFCD31757610
ZINC000888090409
ZINC000888090412
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