Vitas-M small molecule compound

(1aR,2S,5aR,6aR,9S,9aR,9bS)-9-(((3,4-dimethoxyphenethyl)amino)methyl)-2,5a-dimethyloctahydro-2H-oxireno[2',3':4,4a]naphtho[2,3-b]furan-8(9bH)-one

Catalog ID
STL527515
SMILES COc1cc(CCNCC2C(=O)O[C@H]3[C@@H]2[C@@H]2O[C@@]42[C@](C3)(C)CCC[C@@H]4C)ccc1OC

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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/c1-15-6-5-10-24(2)13-20-21(22-25(15,24)31-22)17(23(27)30-20)14-26-11-9-16-7-8-18(28-3)19(12-16)29-4/h7-8,12,15,17,20-22,26H,5-6,9-11,13-14H2,1-4H3/t15-,17?,20+,21+,22-,24+,25-/m0/s1
InChIKey
UJHAAYVZZJWJTB-SXTZONQXSA-N
Synonyms
956825-94-8
(1~(R)3~(S)4~(R)8~(R)10~(R)14~(S))5((2(34dimethoxyphenyl)ethylamino)methyl)1014dimethyl27dioxatetracyclo(8400^(13)0^(48))tetradecan6one
(1aR2S5aR6aR9S9aR9bS)9(((34dimethoxyphenethyl)amino)methyl)25adimethyloctahydro2Hoxireno(2344a)naphtho(23b)furan8(9bH)one
COc1cc(CCNCC2C(=O)O(C@H)3(C@@H)2(C@@H)2O(C@@)42(C@)(C3)(C)CCC(C@@H)4C)ccc1OC
Registry IDs
MFCD32649863
ZINC000004028629
ZINC000012659986

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Available files

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