Vitas-M small molecule compound
2-[(4aS,4bR,6aS,6bS,9aR,12S)-4b,12-difluoro-5-hydroxy-4a,6a,8,8-tetramethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl]-2-oxoethyl acetate
Catalog ID
STL525056
SMILES CC(=O)OCC(=O)[C@@]12OC(O[C@@H]1CC1[C@]2(C)CC(O)[C@]2(C1C[C@@H](C1=CC(=O)C=C[C@]21C)F)F)(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 C26H32F2O7 MW 494.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H32F2O7/c1-13(29)33-12-20(32)26-21(34-22(2,3)35-26)10-15-16-9-18(27)17-8-14(30)6-7-23(17,4)25(16,28)19(31)11-24(15,26)5/h6-8,15-16,18-19,21,31H,9-12H2,1-5H3/t15?,16?,18-,19?,21+,23-,24-,25-,26+/m0/s1InChIKey
WJOHZNCJWYWUJD-XHEOJOBRSA-NSynonyms
(2((4~(R)8~(S)9~(S)12~(R)13~(S)19~(S))1219difluoro11hydroxy66913tetramethyl16oxo57dioxapentacyclo(10800^(29)0^(48)0^(1318))icosa1417dien8yl)2oxoethyl)acetate
135639011
2((2S6aS6bR7S8aS8bS11aR12aS12bS)26bdifluoro7hydroxy6a8a1010tetramethyl4oxo246a6b788a8b11a1212a12bdodecahydro1Hnaphtho(2145)indeno(12d)(13)dioxol8byl)2oxoethylacetate
2((4aS4bR6aS6bS9aR12S)4b12difluoro5hydroxy4a6a88tetramethyl2oxo24a4b566a9a1010a10b1112dodecahydro6bHnaphtho(2145)indeno(12d)(13)dioxol6byl)2oxoethylacetate
CC(=O)OCC(=O)(C@@)12OC(O(C@@H)1C(C@@H)1(C@)2(C)C(C@H)(O)(C@)2((C@H)1C(C@@H)(C1=CC(=O)C=C(C@)21C)F)F)(C)C
InChI=1SC26H32F2O7c113(29)331220(32)2621(3422(23)3526)101516918(27)17814(30)6723(174)25(1628)19(31)1124(1526)5h68151618192131H912H215H3t15?16?1819?21+23242526+m0s1
MFCD01543621
ZINC000003977977
ZINC001772491696
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