Vitas-M small molecule compound
4-{methyl[(7S)-1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]amino}but-2-yn-1-yl 4-methoxybenzoate
Catalog ID
STL526332
SMILES COc1ccc(cc1)C(=O)OCC#CCN([C@H]1CCc2c(c3c1cc(=O)c(cc3)OC)c(OC)c(c(c2)OC)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 C33H35NO8 MW 573.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H35NO8/c1-34(17-7-8-18-42-33(36)21-9-12-23(37-2)13-10-21)26-15-11-22-19-29(39-4)31(40-5)32(41-6)30(22)24-14-16-28(38-3)27(35)20-25(24)26/h9-10,12-14,16,19-20,26H,11,15,17-18H2,1-6H3/t26-/m0/s1InChIKey
WFDVTDMCODNHNA-SANMLTNESA-NSynonyms
1214633-55-2(S)4(methyl(12310tetramethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)amino)but2yn1yl4methoxybenzoate
1214633552
4(methyl((7~(S))12310tetramethoxy9oxo67dihydro5~(H)benzo(a)heptalen7yl)amino)but2ynyl4methoxybenzoate
4(methyl((7S)12310tetramethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)amino)but2yn1yl4methoxybenzoate
6353473
COc1ccc(cc1)C(=O)OCC#CCN((C@H)1CCc2c(c3c1cc(=O)c(cc3)OC)c(OC)c(c(c2)OC)OC)C
InChI=1SC33H35NO8c134(1778184233(36)2191223(372)131021)261511221929(394)31(405)32(416)30(22)24141628(383)27(35)2025(24)26h910121416192026H11151718H216H3t26m0s1
MFCD01082440
ZINC000033353654
ZINC33353654
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