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-oxo-4-[(1-phenylethyl)amino]butanoate

Catalog ID
STL553370
SMILES O=C(NC(c1ccccc1)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

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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 C27H37NO7 MW 487.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H37NO7/c1-16-10-11-21-17(2)24(32-25-27(21)20(16)14-15-26(4,33-25)34-35-27)31-23(30)13-12-22(29)28-18(3)19-8-6-5-7-9-19/h5-9,16-18,20-21,24-25H,10-15H2,1-4H3,(H,28,29)/t16-,17-,18?,20+,21+,24-,25-,26?,27?/m1/s1
InChIKey
ALHVKKXRLZRWRF-CGFBPVRASA-N
Synonyms

((4~(S)5~(R)8~(S)9~(R)10~(S)12~(R))159trimethyl11141516tetraoxatetracyclo(10310^(413)0^(813))hexadecan10yl)4oxo4(1phenylethylamino)butanoate
(3R5aS6R8aS9R10S12R12aR)369trimethyldecahydro3H312epoxy(12)dioxepino(43i)isochromen10yl4oxo4((1phenylethyl)amino)butanoate
(5aS6R8aS9R10S12R12aR)369trimethyldecahydro312epoxy(12)dioxepino(43i)isochromen10yl4oxo4((1phenylethyl)amino)butanoate
16401984
InChI=1SC27H37NO7c11610112117(2)24(322527(21)20(16)141526(43325)343527)3123(30)131222(29)2818(3)198657919h59161820212425H1015H214H3(H2829)t161718?20+21+242526?27?m1s1
O=C(NC(c1ccccc1)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
ZINC000100768157
ZINC000106362012

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Available files

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