Vitas-M small molecule compound
(5aS,6R,8aS,9R,10S,12R,12aR)-3,6,9-trimethyldecahydro-3,12-epoxy[1,2]dioxepino[4,3-i]isochromen-10-yl 4-[(furan-2-ylmethyl)amino]-4-oxobutanoate
Catalog ID
STL553230
SMILES O=C(NCc1ccco1)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 C24H33NO8 MW 463.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H33NO8/c1-14-6-7-18-15(2)21(29-20(27)9-8-19(26)25-13-16-5-4-12-28-16)30-22-24(18)17(14)10-11-23(3,31-22)32-33-24/h4-5,12,14-15,17-18,21-22H,6-11,13H2,1-3H3,(H,25,26)/t14-,15-,17+,18+,21-,22-,23-,24?/m1/s1InChIKey
MYCWFHZIAKFKJN-SEMZQCTFSA-NSynonyms
(3R5aS6R8aS9R10S12R12aR)369trimethyldecahydro3H312epoxy(12)dioxepino(43i)isochromen10yl4((furan2ylmethyl)amino)4oxobutanoate
(5aS6R8aS9R10S12R12aR)369trimethyldecahydro312epoxy(12)dioxepino(43i)isochromen10yl4((furan2ylmethyl)amino)4oxobutanoate
InChI=1SC24H33NO8c114671815(2)21(2920(27)9819(26)25131654122816)302224(18)17(14)101123(33122)323324h4512141517182122H61113H213H3(H2526)t141517+18+21222324?m1s1
O=C(NCc1ccco1)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
ZINC000100774925
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