Vitas-M small molecule compound

(3S,3aS,4S,4aR,5S,9aR)-3-((4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)methyl)-4-hydroxy-4a,5-dimethyl-3a,4,4a,5,6,7,9,9a-octahydronaphtho[2,3-b]furan-2(3H)-one

Catalog ID
STL528231
SMILES O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)Cc1ccc3c(c1)OCO3)[C@H](O)[C@]1(C(=CCC[C@H]1C)C2)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 C27H36N2O5 MW 468.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H36N2O5/c1-17-4-3-5-19-13-23-24(25(30)27(17,19)2)20(26(31)34-23)15-29-10-8-28(9-11-29)14-18-6-7-21-22(12-18)33-16-32-21/h5-7,12,17,20,23-25,30H,3-4,8-11,13-16H2,1-2H3/t17-,20?,23+,24+,25-,27+/m0/s1
InChIKey
OSFUKEIVCIPOJC-FKHDXXPUSA-N
Synonyms
1212465-21-8
(3S3aS4S4aR5S9aR)3((4(benzo(d)(13)dioxol5ylmethyl)piperazin1yl)methyl)4hydroxy4a5dimethyl3a44a56799aoctahydronaphtho(23b)furan2(3H)one
1212465218
InChI=1SC27H36N2O5c11743519132324(25(30)27(1719)2)20(26(31)3423)152910828(91129)1418672122(1218)33163221h57121720232530H348111316H212H3t1720?23+24+2527+m0s1
MFCD32649889
O=C1O(C@H)2(C@@H)(C1CN1CCN(CC1)Cc1ccc3c(c1)OCO3)(C@H)(O)(C@)1(C(=CCC(C@@H)1C)C2)C
ZINC000019369818
ZINC000022807362

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Available files

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