Vitas-M small molecule compound
5-hydroxy-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
STL553224
SMILES O=C(NC(C(=O)O)Cc1c[nH]c2c1cc(O)cc2)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 C30H38N2O10 MW 586.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H38N2O10/c1-15-4-6-21-16(2)27(39-28-30(21)20(15)10-11-29(3,40-28)41-42-30)38-25(35)9-8-24(34)32-23(26(36)37)12-17-14-31-22-7-5-18(33)13-19(17)22/h5,7,13-16,20-21,23,27-28,31,33H,4,6,8-12H2,1-3H3,(H,32,34)(H,36,37)/t15-,16-,20+,21+,23?,27-,28-,InChIKey
KDURKTFMNXPNSU-SBRDIREJSA-NSynonyms
3(5hydroxy1Hindol3yl)2(4oxo4(((3R5aS6R8aS9R10S12R12aR)369trimethyldecahydro3H312epoxy(12)dioxepino(43i)isochromen10yl)oxy)butanamido)propanoicacid
5hydroxyN(4oxo4(((5aS6R8aS9R10S12R12aR)369trimethyldecahydro312epoxy(12)dioxepino(43i)isochromen10yl)oxy)butanoyl)tryptophan
InChI=1SC30H38N2O10c115462116(2)27(392830(21)20(15)101129(34028)414230)3825(35)9824(34)3223(26(36)37)12171431227518(33)1319(17)22h57131620212327283133H46812H213H3(H3234)(H3637)t151620+21+23?27282930?m1s1
O=C(NC(C(=O)O)Cc1c(nH)c2c1cc(O)cc2)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
ZINC000100776810
ZINC000109111075
Check stock
See real-time availability and sample size for STL553224 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.