Vitas-M small molecule compound
(2'R,3S,3aR,4aR,8aR,9aR)-3-(((3,4-dimethoxyphenethyl)amino)methyl)-8a-methyldecahydro-2H-spiro[naphtho[2,3-b]furan-5,2'-oxiran]-2-one
Catalog ID
STL540688
SMILES COc1ccc(cc1OC)CCNCC1C(=O)O[C@H]2[C@@H]1C[C@@H]1[C@](C2)(C)CCC[C@]21OC2
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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 C25H35NO5 MW 429.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H35NO5/c1-24-8-4-9-25(15-30-25)22(24)12-17-18(23(27)31-21(17)13-24)14-26-10-7-16-5-6-19(28-2)20(11-16)29-3/h5-6,11,17-18,21-22,26H,4,7-10,12-15H2,1-3H3/t17-,18?,21-,22-,24-,25+/m1/s1InChIKey
UABYFWCFZIPIIH-GYFNSSHZSA-NSynonyms
956919-07-6(2R3S3aR4aR8aR9aR)3(((34dimethoxyphenethyl)amino)methyl)8amethyldecahydro2Hspiro(naphtho(23b)furan52oxiran)2one
(3~(a)~(R)4~(a)~(R)5~(R)8~(a)~(R)9~(a)~(R))3((2(34dimethoxyphenyl)ethylamino)methyl)8~(a)methylspiro(3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran52oxirane)2one
16401856
956919076
COc1ccc(cc1OC)CCNCC1C(=O)O(C@H)2(C@@H)1C(C@@H)1(C@)(C2)(C)CCC(C@)21OC2
InChI=1SC25H35NO5c12484925(153025)22(24)121718(23(27)3121(17)1324)1426107165619(282)20(1116)293h56111718212226H47101215H213H3t1718?21222425+m1s1
ZINC000004082205
ZINC000012871654
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