Vitas-M small molecule compound
7-chloro-6'-hydroxy-4,6-dimethoxy-1',3',8'-trimethyl-5'-(1-methyl-1H-pyrazol-4-yl)-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
STL549569
SMILES COc1cc(OC)c(c2c1C(=O)C1(O2)C(C)CC2=Nc3c(C(C2=C1O)c1cnn(c1)C)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 C27H26ClN5O7 MW 567.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26ClN5O7/c1-11-7-13-17(22(34)27(11)23(35)18-14(38-5)8-15(39-6)20(28)21(18)40-27)16(12-9-29-31(2)10-12)19-24(30-13)32(3)26(37)33(4)25(19)36/h8-11,16,34H,7H2,1-6H3InChIKey
IDCCBECPARKLKG-UHFFFAOYSA-NSynonyms
7chloro6hydroxy46dimethoxy138trimethyl5(1methyl1Hpyrazol4yl)1589tetrahydro2H3Hspiro(1benzofuran27pyrimido(45b)quinoline)234(3H)trione
InChI=1SC27H26ClN5O7c11171317(22(34)27(11)23(35)1814(385)815(396)20(28)21(18)4027)16(1292931(2)1012)1924(3013)32(3)26(37)33(4)25(19)36h8111634H7H216H3
MFCD31757060
ZINC000888089108
ZINC000888089111
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