Vitas-M small molecule compound
ethyl N-(4-oxo-4-{[(5aS,6R,8aS,9R,10S,12R,12aR)-3,6,9-trimethyldecahydro-3,12-epoxy[1,2]dioxepino[4,3-i]isochromen-10-yl]oxy}butanoyl)tyrosinate
Catalog ID
STL553213
SMILES CCOC(=O)C(Cc1ccc(cc1)O)NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4C2([C@H]([C@H]1C)CC[C@H]4C)OO3
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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 C30H41NO10 MW 575.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H41NO10/c1-5-36-26(35)23(16-19-7-9-20(32)10-8-19)31-24(33)12-13-25(34)37-27-18(3)22-11-6-17(2)21-14-15-29(4)39-28(38-27)30(21,22)41-40-29/h7-10,17-18,21-23,27-28,32H,5-6,11-16H2,1-4H3,(H,31,33)/t17-,18-,21+,22+,23?,27-,28-,29-,30?/m1/s1InChIKey
QBYCKOJRNDGYMX-QIUBIUDBSA-NSynonyms
(3R5aS6R8aS9R10S12R12aR)369trimethyldecahydro3H312epoxy(12)dioxepino(43i)isochromen10yl4((1ethoxy3(4hydroxyphenyl)1oxopropan2yl)amino)4oxobutanoate
CCOC(=O)C(Cc1ccc(cc1)O)NC(=O)CCC(=O)O(C@@H)1O(C@@H)2O(C@@)3(C)CC(C@@H)4C2((C@H)((C@H)1C)CC(C@H)4C)OO3
ethylN(4oxo4(((5aS6R8aS9R10S12R12aR)369trimethyldecahydro312epoxy(12)dioxepino(43i)isochromen10yl)oxy)butanoyl)tyrosinate
InChI=1SC30H41NO10c153626(35)23(16197920(32)10819)3124(33)121325(34)372718(3)2211617(2)21141529(4)3928(3827)30(2122)414029h71017182123272832H561116H214H3(H3133)t171821+22+23?27282930?m1s1
ZINC000103564486
ZINC000103564496
Check stock
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Check stock on Vitas-MAvailable files
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