Vitas-M small molecule compound
(2R,4aS,6aS,6bS,9aR,12aS)-6b-acetyl-4a,6a,8,8-tetramethylhexadecahydro-1H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-yl 3-iodobenzoate
Catalog ID
STL524928
SMILES Ic1cccc(c1)C(=O)O[C@@H]1CC[C@]2([C@H](C1)CCC1C2CC[C@]2(C1C[C@@H]1[C@]2(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 C31H41IO5 MW 620.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H41IO5/c1-18(33)31-26(36-28(2,3)37-31)17-25-23-10-9-20-16-22(35-27(34)19-7-6-8-21(32)15-19)11-13-29(20,4)24(23)12-14-30(25,31)5/h6-8,15,20,22-26H,9-14,16-17H2,1-5H3/t20-,22+,23?,24?,25?,26+,29-,30-,31+/m0/s1InChIKey
QHRCKXUVSQTYFZ-BRHWFFPMSA-NSynonyms
((4~(R)8~(S)9~(S)13~(S)16~(R)18~(S))8acetyl66913tetramethyl57dioxapentacyclo(10800^(29)0^(48)0^(1318))icosan16yl)3iodobenzoate
(2aS4R6aS6bS8aS8bS11aR12aS12bR)8bacetyl6a8a1010tetramethylhexadecahydro1Hnaphtho(2145)indeno(12d)(13)dioxol4yl3iodobenzoate
(2R4aS6aS6bS9aR12aS)6bacetyl4a6a88tetramethylhexadecahydro1Hnaphtho(2145)indeno(12d)(13)dioxol2yl3iodobenzoate
135638993
Ic1cccc(c1)C(=O)O(C@@H)1CC(C@)2((C@H)(C1)CC(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
InChI=1SC31H41IO5c118(33)3126(3628(23)3731)172523109201622(3527(34)1976821(32)1519)111329(204)24(23)121430(2531)5h6815202226H9141617H215H3t2022+23?24?25?26+293031+m0s1
MFCD01547106
ZINC000253506150
ZINC001772491656
Check stock
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