Vitas-M small molecule compound
(3S,3aS,4S,4aR,5S,9aR)-3-((4-(3,4-dimethylphenyl)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
STL529890
SMILES O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1ccc(c(c1)C)C)[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 C27H38N2O3 MW 438.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H38N2O3/c1-17-8-9-21(14-18(17)2)29-12-10-28(11-13-29)16-22-24-23(32-26(22)31)15-20-7-5-6-19(3)27(20,4)25(24)30/h7-9,14,19,22-25,30H,5-6,10-13,15-16H2,1-4H3/t19-,22?,23+,24+,25-,27+/m0/s1InChIKey
ZZSQDHGSNRGFRY-UMCTXCIPSA-NSynonyms
1212476-80-6(3S3aS4S4aR5S9aR)3((4(34dimethylphenyl)piperazin1yl)methyl)4hydroxy4a5dimethyl3a44a56799aoctahydronaphtho(23b)furan2(3H)one
1212476806
InChI=1SC27H38N2O3c1178921(1418(17)2)29121028(111329)16222423(3226(22)31)152075619(3)27(204)25(24)30h791419222530H5610131516H214H3t1922?23+24+2527+m0s1
MFCD32649910
O=C1O(C@H)2(C@@H)(C1CN1CCN(CC1)c1ccc(c(c1)C)C)(C@H)(O)(C@)1(C(=CCC(C@@H)1C)C2)C
ZINC000049626720
ZINC000070680963
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