Vitas-M small molecule compound
5'-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-7-chloro-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
STL551340
SMILES COc1cc(OC)c(c2c1C(=O)C1(O2)C(C)CC2=Nc3c(C(C2=C1O)c1ccc(o1)c1nc2c(s1)cccc2)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 C34H27ClN4O8S MW 687.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H27ClN4O8S/c1-14-12-16-22(28(40)34(14)29(41)24-19(44-4)13-20(45-5)26(35)27(24)47-34)23(25-30(36-16)38(2)33(43)39(3)32(25)42)17-10-11-18(46-17)31-37-15-8-6-7-9-21(15)48-31/h6-11,13-14,23,40H,12H2,1-5H3InChIKey
FYEVVWQFRGXOJX-UHFFFAOYSA-NSynonyms
5(5(13benzothiazol2yl)furan2yl)7chloro6hydroxy46dimethoxy138trimethyl1589tetrahydro2H3Hspiro(1benzofuran27pyrimido(45b)quinoline)234(3H)trione
InChI=1SC34H27ClN4O8Sc114121622(28(40)34(14)29(41)2419(444)1320(455)26(35)27(24)4734)23(2530(3616)38(2)33(43)39(3)32(25)42)17101118(4617)313715867921(15)4831h61113142340H12H215H3
MFCD31758082
ZINC000888089473
ZINC000888089476
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