Vitas-M small molecule compound
(3S,3aS,4S,4aR,5S,9aR)-3-((4-(2,3-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 hydrochloride
Catalog ID
STL527455
SMILES O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1cccc(c1C)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/c1-17-7-5-10-22(19(17)3)29-13-11-28(12-14-29)16-21-24-23(32-26(21)31)15-20-9-6-8-18(2)27(20,4)25(24)30/h5,7,9-10,18,21,23-25,30H,6,8,11-16H2,1-4H3/t18-,21?,23+,24+,25-,27+/m0/s1InChIKey
IYVNGAUMUARQSV-SCLFBBLWSA-NSynonyms
(3S3aS4S4aR5S9aR)3((4(23dimethylphenyl)piperazin1yl)methyl)4hydroxy4a5dimethyl3a44a56799aoctahydronaphtho(23b)furan2(3H)onehydrochloride
InChI=1SC27H38N2O3c117751022(19(17)3)29131128(121429)16212423(3226(21)31)152096818(2)27(204)25(24)30h579101821232530H681116H214H3t1821?23+24+2527+m0s1
MFCD32649859
O=C1O(C@H)2(C@@H)(C1CN1CCN(CC1)c1cccc(c1C)C)(C@H)(O)(C@)1(C(=CCC(C@@H)1C)C2)CCl
ZINC000049586709
ZINC000070670130
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