Vitas-M small molecule compound
2-[(4aR,6aS,6bS,9aR)-12-fluoro-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
STL525767
SMILES CC(=O)OCC(=O)[C@@]12OC(O[C@@H]1CC1[C@]2(C)CC(O)C2C1CC(C1=CC(=O)C=C[C@]21C)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 C26H33FO7 MW 476.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33FO7/c1-13(28)32-12-20(31)26-21(33-23(2,3)34-26)10-16-15-9-18(27)17-8-14(29)6-7-24(17,4)22(15)19(30)11-25(16,26)5/h6-8,15-16,18-19,21-22,30H,9-12H2,1-5H3/t15?,16?,18?,19?,21-,22?,24+,25+,26-/m1/s1InChIKey
WEGNFRKBIKYVLC-BJMLTDNQSA-NSynonyms
(2((4~(R)8~(S)9~(S)13~(R))19fluoro11hydroxy66913tetramethyl16oxo57dioxapentacyclo(10800^(29)0^(48)0^(1318))icosa1417dien8yl)2oxoethyl)acetate
135639086
2((4aR6aS6bS9aR)12fluoro5hydroxy4a6a88tetramethyl2oxo24a4b566a9a1010a10b1112dodecahydro6bHnaphtho(2145)indeno(12d)(13)dioxol6byl)2oxoethylacetate
2((6aR6bS7S8aS8bS11aR12aS12bS)2fluoro7hydroxy6a8a1010tetramethyl4oxo246a6b788a8b11a1212a12bdodecahydro1Hnaphtho(2145)indeno(12d)(13)dioxol8byl)2oxoethylacetate
CC(=O)OCC(=O)(C@@)12OC(O(C@@H)1C(C@@H)1(C@)2(C)C(C@H)(O)(C@H)2(C@H)1CC(C1=CC(=O)C=C(C@)21C)F)(C)C
InChI=1SC26H33FO7c113(28)321220(31)2621(3323(23)3426)101615918(27)17814(29)6724(174)22(15)19(30)1125(1626)5h6815161819212230H912H215H3t15?16?18?19?2122?24+25+26m1s1
MFCD01546062
ZINC000253637545
ZINC000256980697
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