Vitas-M small molecule compound
(1alpha,5xi,9xi,10xi,14alpha)-20-ethyl-16-methoxy-4-methylaconitane-1,8,14-triyl triacetate
Catalog ID
STL552699
SMILES CO[C@H]1C[C@]2(OC(=O)C)[C@@H]3CC4[C@@]5(C6C[C@H]1[C@@H](C26)OC(=O)C)C3N(CC)C[C@]4(C)CC[C@@H]5OC(=O)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 C28H41NO7 MW 503.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H41NO7/c1-7-29-13-26(5)9-8-22(34-14(2)30)28-18-10-17-20(33-6)12-27(36-16(4)32,19(25(28)29)11-21(26)28)23(18)24(17)35-15(3)31/h17-25H,7-13H2,1-6H3/t17-,18?,19+,20+,21?,22+,23?,24+,25?,26+,27+,28-/m1/s1InChIKey
BHOWLZWNBIHSFB-KTDFMYECSA-NSynonyms
((1~(S)4~(S)5~(R)6~(S)8~(S)9~(S)13~(R)16~(S))48diacetyloxy11ethyl6methoxy13methyl11azahexacyclo(7721^(25)0^(110)0^(38)0^(1317))nonadecan16yl)acetate
(1alpha5xi9xi10xi14alpha)20ethyl16methoxy4methylaconitane1814triyltriacetate
(3R6S6aS7R8S9R10S11aS12S14R)1ethyl10methoxy3methyltetradecahydro1H36a12(epiethane(112)triyl)79methanonaphtho(23b)azocine6811atriyltriacetate
135640842
CO(C@H)1C(C@)2(OC(=O)C)(C@H)3C(C@H)4(C@@)5((C@@H)6C(C@H)1(C@@H)(C26)OC(=O)C)C3N(CC)C(C@)4(C)CC(C@@H)5OC(=O)C
InChI=1SC28H41NO7c17291326(5)9822(3414(2)30)2818101720(336)1227(3616(4)3219(25(28)29)1121(26)28)23(18)24(17)3515(3)31h1725H713H216H3t1718?19+20+21?22+23?24+25?26+27+28m1s1
ZINC001772493091
ZINC001772493092
Check stock
See real-time availability and sample size for STL552699 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.