Vitas-M small molecule compound
dimethyl 15,15'-methanediylbis[4-(acetyloxy)-3-hydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate]
Catalog ID
STK375008
SMILES COC(=O)C1(O)C(OC(=O)C)C2(CC)C=CCN3C2C2(C1N(C)c1c2cc(c(c1)OC)Cc1cc2c(cc1OC)N(C1C42CCN2C4C(CC)(C=CC2)C(C1(O)C(=O)OC)OC(=O)C)C)CC3
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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 C51H64N4O12 MW 925.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C51H64N4O12/c1-11-46-15-13-19-54-21-17-48(38(46)54)32-24-30(36(62-7)26-34(32)52(5)40(48)50(60,44(58)64-9)42(46)66-28(3)56)23-31-25-33-35(27-37(31)63-8)53(6)41-49(33)18-22-55-20-14-16-47(12-2,39(49)55)43(67-29(4)57)51(41,61)45(59)65-10/h13-16,24-2InChIKey
GTYHMLPTHUKXMG-UHFFFAOYSA-NSynonyms
CCC12C=CCN3C1C4(CC3)C(C(C2OC(=O)C)(C(=O)OC)O)N(C5=CC(=C(C=C45)CC6=C(C=C7C(=C6)C89CCN1C8C(C=CC1)(C(C(C9N7C)(C(=O)OC)O)OC(=O)C)CC)OC)OC)C
dimethyl1515methanediylbis(4(acetyloxy)3hydroxy16methoxy1methyl67didehydroaspidospermidine3carboxylate)
InChI=1SC51H64N4O12c1114615131954211748(38(46)54)322430(36(627)2634(32)52(5)40(48)50(6044(58)649)42(46)6628(3)56)2331253335(2737(31)638)53(6)4149(33)18225520141647(12239(49)55)43(6729(4)57)51(4161)45(59)6510h1316242738436061H11121723H2110H3
MFCD01119092
VINDOLICINE
ZINC000239073254
ZINC000239073257
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.