Vitas-M small molecule compound
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)tryptophan
Catalog ID
STL553221
SMILES O=C(NC(C(=O)O)Cc1c[nH]c2c1cccc2)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 C30H38N2O9 MW 570.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H38N2O9/c1-16-8-9-21-17(2)27(38-28-30(21)20(16)12-13-29(3,39-28)40-41-30)37-25(34)11-10-24(33)32-23(26(35)36)14-18-15-31-22-7-5-4-6-19(18)22/h4-7,15-17,20-21,23,27-28,31H,8-14H2,1-3H3,(H,32,33)(H,35,36)/t16-,17-,20+,21+,23?,27-,28-,29-,30?/m1/InChIKey
AATOFHZSNWXOOT-MBMVOUKHSA-NSynonyms
3(1Hindol3yl)2(4oxo4(((3R5aS6R8aS9R10S12R12aR)369trimethyldecahydro3H312epoxy(12)dioxepino(43i)isochromen10yl)oxy)butanamido)propanoicacid
InChI=1SC30H38N2O9c116892117(2)27(382830(21)20(16)121329(33928)404130)3725(34)111024(33)3223(26(35)36)1418153122754619(18)22h471517202123272831H814H213H3(H3233)(H3536)t161720+21+23?27282930?m1s1
N(4oxo4(((5aS6R8aS9R10S12R12aR)369trimethyldecahydro312epoxy(12)dioxepino(43i)isochromen10yl)oxy)butanoyl)tryptophan
O=C(NC(C(=O)O)Cc1c(nH)c2c1cccc2)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
ZINC000100775607
ZINC000109111090
Check stock
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Check stock on Vitas-MAvailable files
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