Vitas-M small molecule compound
methyl 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)-L-tryptophanate
Catalog ID
STL553262
SMILES COC(=O)[C@H](Cc1c[nH]c2c1cccc2)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 C31H40N2O9 MW 584.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H40N2O9/c1-17-9-10-22-18(2)28(39-29-31(22)21(17)13-14-30(3,40-29)41-42-31)38-26(35)12-11-25(34)33-24(27(36)37-4)15-19-16-32-23-8-6-5-7-20(19)23/h5-8,16-18,21-22,24,28-29,32H,9-15H2,1-4H3,(H,33,34)/t17-,18-,21+,22+,24+,28-,29-,30-,31?/m1/s1InChIKey
FCFRTWWYTKSPBO-TYRJDTLESA-NSynonyms
1240406-55-6(3R5aS6R8aS9R10S12R12aR)369trimethyldecahydro3H312epoxy(12)dioxepino(43i)isochromen10yl4(((S)3(1Hindol3yl)1methoxy1oxopropan2yl)amino)4oxobutanoate
1240406556
COC(=O)(C@H)(Cc1c(nH)c2c1cccc2)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
InChI=1SC31H40N2O9c1179102218(2)28(392931(22)21(17)131430(34029)414231)3826(35)121125(34)3324(27(36)374)1519163223865720(19)23h581618212224282932H915H214H3(H3334)t171821+22+24+28293031?m1s1
methylN(4oxo4(((5aS6R8aS9R10S12R12aR)369trimethyldecahydro312epoxy(12)dioxepino(43i)isochromen10yl)oxy)butanoyl)Ltryptophanate
ZINC000100781365
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.