Vitas-M small molecule compound

(3S,3aR,4aR,8aR,9aR)-3-(((3,4-dimethoxybenzyl)(furan-2-ylmethyl)amino)methyl)-8a-methyldecahydro-2H-spiro[naphtho[2,3-b]furan-5,2'-oxiran]-2-one

Catalog ID
STL536528
SMILES COc1ccc(cc1OC)CN(CC1C(=O)O[C@H]2[C@@H]1C[C@@H]1[C@](C2)(C)CCCC21OC2)Cc1ccco1

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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 C29H37NO6 MW 495.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H37NO6/c1-28-9-5-10-29(18-35-29)26(28)13-21-22(27(31)36-25(21)14-28)17-30(16-20-6-4-11-34-20)15-19-7-8-23(32-2)24(12-19)33-3/h4,6-8,11-12,21-22,25-26H,5,9-10,13-18H2,1-3H3/t21-,22?,25-,26-,28-,29?/m1/s1
InChIKey
OIAIVSIIVUZNCT-VEIOCNHBSA-N
Synonyms
957047-54-0
(3~(a)~(R)4~(a)~(R)8~(a)~(R)9~(a)~(R))3(((34dimethoxyphenyl)methyl(furan2ylmethyl)amino)methyl)8~(a)methylspiro(3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran52oxirane)2one
(3S3aR4aR8aR9aR)3(((34dimethoxybenzyl)(furan2ylmethyl)amino)methyl)8amethyldecahydro2Hspiro(naphtho(23b)furan52oxiran)2one
16400270
957047540
COc1ccc(cc1OC)CN(CC1C(=O)O(C@H)2(C@@H)1C(C@@H)1(C@)(C2)(C)CCCC21OC2)Cc1ccco1
InChI=1SC29H37NO6c128951029(183529)26(28)132122(27(31)3625(21)1428)1730(162064113420)15197823(322)24(1219)333h468111221222526H59101318H213H3t2122?25262829?m1s1
ZINC000008918141
ZINC000035361957

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Available files

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