Vitas-M small molecule compound
(3aR,4S,9aS,9bR)-3,6,9-trimethyl-2,7-dioxo-2,3,3a,4,5,7,9a,9b-octahydroazuleno[4,5-b]furan-4-yl diphenylacetate
Catalog ID
STL539812
SMILES O=C(C(c1ccccc1)c1ccccc1)O[C@H]1CC(=C2[C@@H]([C@@H]3[C@@H]1[C@H](C)C(=O)O3)C(=CC2=O)C)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 C29H28O5 MW 456.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28O5/c1-16-14-21(30)23-17(2)15-22(25-18(3)28(31)34-27(25)24(16)23)33-29(32)26(19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-14,18,22,24-27H,15H2,1-3H3/t18-,22-,24-,25+,27+/m0/s1InChIKey
IFLXJELWZXSTOM-IAORCUQYSA-NSynonyms
956976-58-2((3~(S)3~(a)~(R)4~(S)9~(a)~(S)9~(b)~(R))369trimethyl27dioxo33~(a)459~(a)9~(b)hexahydroazuleno(45b)furan4yl)22diphenylacetate
(3aR4S9aS9bR)369trimethyl27dioxo233a4579a9boctahydroazuleno(45b)furan4yldiphenylacetate
(3S3aR4S9aS9bR)369trimethyl27dioxo233a4579a9boctahydroazuleno(45b)furan4yl22diphenylacetate
16400368
956976582
InChI=1SC29H28O5c1161421(30)2317(2)1522(2518(3)28(31)3427(25)24(16)23)3329(32)26(19106471119)20128591320h41418222427H15H213H3t18222425+27+m0s1
MFCD05671301
O=C(C(c1ccccc1)c1ccccc1)O(C@H)1CC(=C2(C@@H)((C@@H)3(C@@H)1(C@H)(C)C(=O)O3)C(=CC2=O)C)C
ZINC000012864375
ZINC12864375
Check stock
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