Vitas-M small molecule compound
4-{[(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)amino]methyl}benzoic acid
Catalog ID
STL553270
SMILES O=C(NCc1ccc(cc1)C(=O)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 C27H35NO9 MW 517.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H35NO9/c1-15-4-9-20-16(2)24(34-25-27(20)19(15)12-13-26(3,35-25)36-37-27)33-22(30)11-10-21(29)28-14-17-5-7-18(8-6-17)23(31)32/h5-8,15-16,19-20,24-25H,4,9-14H2,1-3H3,(H,28,29)(H,31,32)/t15-,16-,19+,20+,24-,25-,26-,27?/m1/s1InChIKey
ONLMDXWGTBBBHZ-ZJLRMEDGSA-NSynonyms
4(((4oxo4(((5aS6R8aS9R10S12R12aR)369trimethyldecahydro312epoxy(12)dioxepino(43i)isochromen10yl)oxy)butanoyl)amino)methyl)benzoicacid
4((4oxo4(((3R5aS6R8aS9R10S12R12aR)369trimethyldecahydro3H312epoxy(12)dioxepino(43i)isochromen10yl)oxy)butanamido)methyl)benzoicacid
InChI=1SC27H35NO9c115492016(2)24(342527(20)19(15)121326(33525)363727)3322(30)111021(29)2814175718(8617)23(31)32h58151619202425H4914H213H3(H2829)(H3132)t151619+20+24252627?m1s1
O=C(NCc1ccc(cc1)C(=O)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
ZINC000100769474
Check stock
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