Vitas-M small molecule compound
(3S,3aS,4S,4aR,5S,7S,8R,9aS)-4-hydroxy-4a,8-dimethyl-3-(morpholinomethyl)-2-oxododecahydroazuleno[6,5-b]furan-5,7-diyl diacetate
Catalog ID
STL525758
SMILES CC(=O)O[C@H]1C[C@@H](C2[C@]1(C)[C@@H](O)[C@H]1[C@H](C[C@H]2C)OC(=O)C1CN1CCOCC1)OC(=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 C23H35NO8 MW 453.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H35NO8/c1-12-9-16-19(15(22(28)32-16)11-24-5-7-29-8-6-24)21(27)23(4)18(31-14(3)26)10-17(20(12)23)30-13(2)25/h12,15-21,27H,5-11H2,1-4H3/t12-,15?,16+,17+,18+,19-,20?,21+,23-/m1/s1InChIKey
MAEVJUOTUONBDB-BYLSYGAVSA-NSynonyms
1212487-04-1((3~(a)~(S)5~(R)6~(S)8~(S)8~(a)~(R)9~(S)9~(a)~(S))8acetyloxy9hydroxy58~(a)dimethyl1(morpholin4ylmethyl)2oxo13~(a)455~(a)67899~(a)decahydroazuleno(65b)furan6yl)acetate
(3S3aS4S4aR5S7S8R9aS)4hydroxy4a8dimethyl3(morpholinomethyl)2oxododecahydroazuleno(65b)furan57diyldiacetate
1212487041
16398154
CC(=O)O(C@H)1C(C@@H)(C2(C@)1(C)(C@@H)(O)(C@H)1(C@H)(C(C@H)2C)OC(=O)C1CN1CCOCC1)OC(=O)C
InChI=1SC23H35NO8c11291619(15(22(28)3216)112457298624)21(27)23(4)18(3114(3)26)1017(20(12)23)3013(2)25h12152127H511H214H3t1215?16+17+18+1920?21+23m1s1
MFCD32649805
ZINC000020410380
ZINC000020410388
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