Vitas-M small molecule compound
1-(12a-bromo-12-fluoro-2-hydroxy-4a,6a,8,8-tetramethylhexadecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl)ethanone
Catalog ID
STL372827
SMILES OC1CCC2(C(C1)(Br)C(F)CC1C2CCC2(C1CC1C2(OC(O1)(C)C)C(=O)C)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 C24H36BrFO4 MW 487.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H36BrFO4/c1-13(27)24-19(29-20(2,3)30-24)11-17-15-10-18(26)23(25)12-14(28)6-8-21(23,4)16(15)7-9-22(17,24)5/h14-19,28H,6-12H2,1-5H3InChIKey
FSDYSWOQSSJSKC-UHFFFAOYSA-NSynonyms
1((2aR4S6aR6bS8aS8bS11aR12aS12bS)2abromo2fluoro4hydroxy6a8a1010tetramethylhexadecahydro1Hnaphtho(2145)indeno(12d)(13)dioxol8byl)ethanone
1(12abromo12fluoro2hydroxy4a6a88tetramethylhexadecahydro6bHnaphtho(2145)indeno(12d)(13)dioxol6byl)ethanone
CC(=O)C12C(CC3C1(CCC4C3CC(C5(C4(CCC(C5)O)C)Br)F)C)OC(O2)(C)C
InChI=1SC24H36BrFO4c113(27)2419(2920(23)3024)1117151018(26)23(25)1214(28)6821(234)16(15)7922(1724)5h141928H612H215H3
MFCD28952419
O(C@H)1CC(C@)2((C@@)(C1)(Br)C(F)C(C@@H)1(C@@H)2CC(C@)2((C@H)1C(C@@H)1(C@)2(OC(O1)(C)C)C(=O)C)C)C
ZINC000504713788
ZINC000504713797
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