Vitas-M small molecule compound
N-{4-[(4-oxo-4-{[(5aS,6R,12S)-3,6,9-trimethyldecahydro-3,12-epoxy[1,2]dioxepino[4,3-i]isochromen-10-yl]oxy}butanoyl)amino]butanoyl}threonine
Catalog ID
STL565542
SMILES O=C(CCC(=O)OC1O[C@H]2OC3(C)CC[C@@H]4C2(C(C1C)CC[C@H]4C)OO3)NCCCC(=O)NC(C(=O)O)C(O)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 C27H42N2O11 MW 570.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H42N2O11/c1-14-7-8-18-15(2)24(37-25-27(18)17(14)11-12-26(4,38-25)39-40-27)36-21(33)10-9-19(31)28-13-5-6-20(32)29-22(16(3)30)23(34)35/h14-18,22,24-25,30H,5-13H2,1-4H3,(H,28,31)(H,29,32)(H,34,35)/t14-,15?,16?,17+,18?,22?,24?,25+,26?,27?/m1/s1InChIKey
NVIFNUDEDQJOMS-PERNXSPGSA-NSynonyms
16405198
3hydroxy2(4((4oxo4(((4S5R12S)159trimethyl11141516tetraoxatetracyclo(103104130813)hexadecan10yl)oxy)butanoyl)amino)butanoylamino)butanoicacid
3hydroxy2(4(4oxo4(((5aS6R12S)369trimethyldecahydro3H312epoxy(12)dioxepino(43i)isochromen10yl)oxy)butanamido)butanamido)butanoicacid
InChI=1SC27H42N2O11c114781815(2)24(372527(18)17(14)111226(43825)394027)3621(33)10919(31)28135620(32)2922(16(3)30)23(34)35h141822242530H513H214H3(H2831)(H2932)(H3435)t1415?16?17+18?22?24?25+26?27?m1s1
MFCD06769383
N(4((4oxo4(((5aS6R12S)369trimethyldecahydro312epoxy(12)dioxepino(43i)isochromen10yl)oxy)butanoyl)amino)butanoyl)threonine
O=C(CCC(=O)OC1O(C@H)2OC3(C)CC(C@@H)4C2(C(C1C)CC(C@H)4C)OO3)NCCCC(=O)NC(C(=O)O)C(O)C
ZINC000230026570
ZINC000253387652
Check stock
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Check stock on Vitas-MAvailable files
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