Vitas-M small molecule compound
7-chloro-6'-hydroxy-4,6-dimethoxy-1',3',8'-trimethyl-5'-[4-(prop-2-yn-1-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
STL551240
SMILES C#CCOc1ccc(cc1)C1c2c(=O)n(C)c(=O)n(c2N=C2C1=C(O)C1(C(C2)C)Oc2c(C1=O)c(OC)cc(c2Cl)OC)C
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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 C32H28ClN3O8 MW 618.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H28ClN3O8/c1-7-12-43-17-10-8-16(9-11-17)21-22-18(34-29-24(21)30(39)36(4)31(40)35(29)3)13-15(2)32(27(22)37)28(38)23-19(41-5)14-20(42-6)25(33)26(23)44-32/h1,8-11,14-15,21,37H,12-13H2,2-6H3InChIKey
ZUGVVQVMRIZYMH-UHFFFAOYSA-NSynonyms
7chloro6hydroxy46dimethoxy138trimethyl5(4(prop2yn1yloxy)phenyl)1589tetrahydro2H3Hspiro(1benzofuran27pyrimido(45b)quinoline)234(3H)trione
InChI=1SC32H28ClN3O8c1712431710816(91117)212218(342924(21)30(39)36(4)31(40)35(29)3)1315(2)32(27(22)37)28(38)2319(415)1420(426)25(33)26(23)4432h181114152137H1213H226H3
MFCD31758023
ZINC000888090072
ZINC000888090075
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