Vitas-M small molecule compound
methyl (2beta,3beta,4beta,5alpha,12beta,19alpha)-4-(acetyloxy)-15-[(3R,5S,7S,9S)-5-ethyl-5-hydroxy-9-(methoxycarbonyl)-1,2,3,4,5,6,7,8,9,10-decahydro-3,7-methanoazacycloundecino[5,4-b]indol-3-ium-9-yl]-3-hydroxy-16-methoxy-1-methyl-6,7-didehydroaspidosper
Catalog ID
STL581444
SMILES COc1cc2N(C)[C@@H]3[C@@]4(c2cc1[C@]1(C[C@@H]2C[N@@H+](CCc5c1[nH]c1c5cccc1)C[C@](C2)(O)CC)C(=O)OC)CC[NH+]1[C@H]4[C@@]([C@H]([C@]3(O)C(=O)OC)OC(=O)C)(CC)C=CC1
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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 C46H60N4O9 MW 813.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,InChIKey
JXLYSJRDGCGARV-XQKSVPLYSA-PSynonyms
methyl(2beta3beta4beta5alpha12beta19alpha)4(acetyloxy)15((3R5S7S9S)5ethyl5hydroxy9(methoxycarbonyl)12345678910decahydro37methanoazacycloundecino(54b)indol3ium9yl)3hydroxy16methoxy1methyl67didehydroaspidosper
OS(=O)(=O)OCOc1cc2N(C)(C@@H)3(C@@)4(c2cc1(C@)1(C(C@H)2CN(CCc5c1(nH)c1c5cccc1)C(C@)(C2)(O)CC)C(=O)OC)CCN1(C@H)4(C@@)((C@H)((C@)3(O)C(=O)OC)OC(=O)C)(CC)C=CC1
Check stock
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Check stock on Vitas-MAvailable files
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