Vitas-M small molecule compound

(3S,3aR,8aR,9aR)-3-((4-(4-methoxyphenyl)piperazin-1-yl)methyl)-5,8a-dimethyl-3,3a,8,8a,9,9a-hexahydronaphtho[2,3-b]furan-2(7H)-one

Catalog ID
STL553154
SMILES COc1ccc(cc1)N1CCN(CC1)CC1C(=O)O[C@H]2[C@@H]1C=C1C(=CCC[C@@]1(C2)C)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 C26H34N2O3 MW 422.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H34N2O3/c1-18-5-4-10-26(2)16-24-21(15-23(18)26)22(25(29)31-24)17-27-11-13-28(14-12-27)19-6-8-20(30-3)9-7-19/h5-9,15,21-22,24H,4,10-14,16-17H2,1-3H3/t21-,22?,24-,26-/m1/s1
InChIKey
FQPQZNXUZPLMNR-VSYJZPKMSA-N
Synonyms
956623-29-3
(3~(a)~(R)8~(a)~(R)9~(a)~(R))3((4(4methoxyphenyl)piperazin1yl)methyl)58~(a)dimethyl33~(a)7899~(a)hexahydrobenzo(f)(1)benzofuran2one
(3S3aR8aR9aR)3((4(4methoxyphenyl)piperazin1yl)methyl)58adimethyl33a88a99ahexahydronaphtho(23b)furan2(7H)one
16398212
956623293
COc1ccc(cc1)N1CCN(CC1)CC1C(=O)O(C@H)2(C@@H)1C=C1C(=CCC(C@@)1(C2)C)C
InChI=1SC26H34N2O3c118541026(2)162421(1523(18)26)22(25(29)3124)1727111328(141227)196820(303)9719h5915212224H410141617H213H3t2122?2426m1s1
ZINC000061996995
ZINC000061996996

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Available files

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