Vitas-M small molecule compound
(3R,6S,6aR,8S,9R,11R,11aS,12aR)-1-ethyl-8-hydroxy-3-methyl-10-methylenetetradecahydro-3,6a,12-(epiethane[1,1,2]triyl)-9,11a-methanoazuleno[2,1-b]azocine-6,11-diyl dibenzoate
Catalog ID
STL525109
SMILES CCN1C[C@]2(C)CC[C@@H]([C@]34C1C(CC23)[C@@]12C4C[C@@H]([C@H](C1)C(=C)[C@H]2OC(=O)c1ccccc1)O)OC(=O)c1ccccc1
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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 C36H41NO5 MW 567.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H41NO5/c1-4-37-20-34(3)16-15-29(41-32(39)22-11-7-5-8-12-22)36-27(34)17-25(30(36)37)35-19-24(26(38)18-28(35)36)21(2)31(35)42-33(40)23-13-9-6-10-14-23/h5-14,24-31,38H,2,4,15-20H2,1,3H3/t24-,25?,26+,27?,28?,29+,30?,31-,34+,35-,36+/m1/s1InChIKey
GULXPKQSOFISAH-LEKVHHLGSA-NSynonyms
((1~(R)4~(S)5~(R)7~(R)8~(S)13~(R)16~(S))7benzoyloxy11ethyl4hydroxy13methyl6methylidene11azahexacyclo(7721^(58)0^(110)0^(28)0^(1317))nonadecan16yl)benzoate
(3R6S6aR6bR8S9R11R11aR12R14R)1ethyl8hydroxy3methyl10methylenetetradecahydro36a12(epiethane(112)triyl)911amethanoazuleno(21b)azocine611diyldibenzoate
135639019
CCN1C(C@)2(C)CC(C@@H)((C@)34C1(C@H)(C(C@H)23)C12(C@H)4C(C@@H)((C@H)(C1)C(=C)(C@H)2OC(=O)c1ccccc1)O)OC(=O)c1ccccc1
InChI=1SC36H41NO5c14372034(3)161529(4132(39)22117581222)3627(34)1725(30(36)37)351924(26(38)1828(35)36)21(2)31(35)4233(40)231396101423h514243138H241520H213H3t2425?26+27?28?29+30?3134+3536+m1s1
MFCD01548606
ZINC000504424063
ZINC000504424064
Check stock
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Check stock on Vitas-MAvailable files
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