Vitas-M small molecule compound
(4aR,6aS,6bR,9aR)-6b-cyano-4a,6a,8,8-tetramethyl-2,3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11-tetradecahydro-1H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-yl acetate
Catalog ID
STL525013
SMILES N#C[C@@]12OC(O[C@@H]1CC1[C@]2(C)CCC2C1CC=C1[C@]2(C)CCC(C1)OC(=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 C25H35NO4 MW 413.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H35NO4/c1-15(27)28-17-8-10-23(4)16(12-17)6-7-18-19(23)9-11-24(5)20(18)13-21-25(24,14-26)30-22(2,3)29-21/h6,17-21H,7-13H2,1-5H3/t17?,18?,19?,20?,21-,23+,24+,25-/m1/s1InChIKey
DMKUMCNIXLRUCC-JGGHAZRXSA-NSynonyms
((4~(R)8~(R)9~(S)13~(R))8cyano66913tetramethyl57dioxapentacyclo(10800^(29)0^(48)0^(1318))icos18en16yl)acetate
(4aR6aS6bR9aR)6bcyano4a6a88tetramethyl2344a4b566a6b9a1010a10b11tetradecahydro1Hnaphtho(2145)indeno(12d)(13)dioxol2ylacetate
(4R6aR6bS8aS8bR11aR12aS12bR)8bcyano6a8a1010tetramethyl34566a6b788a8b11a1212a12btetradecahydro1Hnaphtho(2145)indeno(12d)(13)dioxol4ylacetate
135639006
InChI=1SC25H35NO4c115(27)281781023(4)16(1217)671819(23)91124(5)20(18)132125(241426)3022(23)2921h61721H713H215H3t17?18?19?20?2123+24+25m1s1
MFCD01844641
N#C(C@@)12OC(O(C@@H)1C(C@@H)1(C@)2(C)CC(C@H)2(C@H)1CC=C1(C@)2(C)CC(C@H)(C1)OC(=O)C)(C)C
ZINC001772491566
ZINC001772491569
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