Vitas-M small molecule compound

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

Catalog ID
STL528131
SMILES O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1ccccn1)[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 C24H33N3O3 MW 411.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H33N3O3/c1-16-6-5-7-17-14-19-21(22(28)24(16,17)2)18(23(29)30-19)15-26-10-12-27(13-11-26)20-8-3-4-9-25-20/h3-4,7-9,16,18-19,21-22,28H,5-6,10-15H2,1-2H3/t16-,18?,19+,21+,22-,24+/m0/s1
InChIKey
TYXOONJQIUQGFQ-WCKSMQQKSA-N
Synonyms
956954-22-6
(3~(a)~(S)4~(S)4~(a)~(R)5~(S)9~(a)~(R))4hydroxy4~(a)5dimethyl3((4pyridin2ylpiperazin1yl)methyl)33~(a)456799~(a)octahydrobenzo(f)(1)benzofuran2one
(3S3aS4S4aR5S9aR)4hydroxy4a5dimethyl3((4(pyridin2yl)piperazin1yl)methyl)3a44a56799aoctahydronaphtho(23b)furan2(3H)one
16398599
956954226
InChI=1SC24H33N3O3c11665717141921(22(28)24(1617)2)18(23(29)3019)1526101227(131126)2083492520h3479161819212228H561015H212H3t1618?19+21+2224+m0s1
MFCD32649886
O=C1O(C@H)2(C@@H)(C1CN1CCN(CC1)c1ccccn1)(C@H)(O)(C@)1(C(=CCC(C@@H)1C)C2)C
ZINC000004045018
ZINC000012661750

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Available files

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