Vitas-M small molecule compound
N-(4-oxo-4-{[(5aS,6R,12S)-3,6,9-trimethyldecahydro-3,12-epoxy[1,2]dioxepino[4,3-i]isochromen-10-yl]oxy}butanoyl)leucylglycine
Catalog ID
STL534804
SMILES CC(CC(C(=O)NCC(=O)O)NC(=O)CCC(=O)OC1O[C@H]2OC3(C)CC[C@@H]4C2(C(C1C)CC[C@H]4C)OO3)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 C27H42N2O10 MW 554.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H42N2O10/c1-14(2)12-19(23(34)28-13-21(31)32)29-20(30)8-9-22(33)35-24-16(4)18-7-6-15(3)17-10-11-26(5)37-25(36-24)27(17,18)39-38-26/h14-19,24-25H,6-13H2,1-5H3,(H,28,34)(H,29,30)(H,31,32)/t15-,16?,17+,18?,19?,24?,25+,26?,27?/m1/s1InChIKey
DBQKXRKTQPZTFZ-HYDZHYJVSA-NSynonyms
2((4methyl2((4oxo4(((4~(S)5~(R)12~(S))159trimethyl11141516tetraoxatetracyclo(10310^(413)0^(813))hexadecan10yl)oxy)butanoyl)amino)pentanoyl)amino)aceticacid
2((S)4methyl2(4oxo4(((3R5aS6R8aS9R10S12R12aR)369trimethyldecahydro3H312epoxy(12)dioxepino(43i)isochromen10yl)oxy)butanamido)pentanamido)aceticacid
44667053
CC(C(C@@H)(C(=O)NCC(=O)O)NC(=O)CCC(=O)O(C@@H)1O(C@@H)2O(C@@)3(C)CC(C@@H)4(C@)2((C@H)((C@H)1C)CC(C@H)4C)OO3)C
InChI=1SC27H42N2O10c114(2)1219(23(34)281321(31)32)2920(30)8922(33)352416(4)187615(3)17101126(5)3725(3624)27(1718)393826h14192425H613H215H3(H2834)(H2930)(H3132)t1516?17+18?19?24?25+26?27?m1s1
MFCD07796403
N(4oxo4(((5aS6R12S)369trimethyldecahydro312epoxy(12)dioxepino(43i)isochromen10yl)oxy)butanoyl)leucylglycine
ZINC000229666589
ZINC000229666616
Check stock
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Check stock on Vitas-MAvailable files
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