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-{[2-(1H-indol-3-yl)ethyl]amino}-4-oxobutanoate
Catalog ID
STL553282
SMILES O=C(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)NCCc1c[nH]c2c1cccc2
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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 C29H38N2O7 MW 526.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H38N2O7/c1-17-8-9-22-18(2)26(35-27-29(22)21(17)12-14-28(3,36-27)37-38-29)34-25(33)11-10-24(32)30-15-13-19-16-31-23-7-5-4-6-20(19)23/h4-7,16-18,21-22,26-27,31H,8-15H2,1-3H3,(H,30,32)/t17-,18-,21+,22+,26-,27-,28?,29?/m1/s1InChIKey
VQWXUPSRCYBPLD-NLQLVNTDSA-NSynonyms
((4~(S)5~(R)8~(S)9~(R)10~(S)12~(R))159trimethyl11141516tetraoxatetracyclo(10310^(413)0^(813))hexadecan10yl)4(2(1~(H)indol3yl)ethylamino)4oxobutanoate
(3R5aS6R8aS9R10S12R12aR)369trimethyldecahydro3H312epoxy(12)dioxepino(43i)isochromen10yl4((2(1Hindol3yl)ethyl)amino)4oxobutanoate
(5aS6R8aS9R10S12R12aR)369trimethyldecahydro312epoxy(12)dioxepino(43i)isochromen10yl4((2(1Hindol3yl)ethyl)amino)4oxobutanoate
16406160
InChI=1SC29H38N2O7c117892218(2)26(352729(22)21(17)121428(33627)373829)3425(33)111024(32)30151319163123754620(19)23h4716182122262731H815H213H3(H3032)t171821+22+262728?29?m1s1
O=C(CCC(=O)O(C@@H)1O(C@@H)2OC3(C)CC(C@@H)4C2((C@H)((C@H)1C)CC(C@H)4C)OO3)NCCc1c(nH)c2c1cccc2
ZINC000100782016
Check stock
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