Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-3-((4-(3-chlorophenyl)piperazin-1-yl)methyl)-5,8a-dimethyl-3,3a,8,8a,9,9a-hexahydronaphtho[2,3-b]furan-2(7H)-one
Catalog ID
STL553152
SMILES O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1cccc(c1)Cl)C=C1[C@](C2)(C)CCC=C1C
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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 C25H31ClN2O2 MW 426.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31ClN2O2/c1-17-5-4-8-25(2)15-23-20(14-22(17)25)21(24(29)30-23)16-27-9-11-28(12-10-27)19-7-3-6-18(26)13-19/h3,5-7,13-14,20-21,23H,4,8-12,15-16H2,1-2H3/t20-,21?,23-,25-/m1/s1InChIKey
FDNWYOKGMVYWCS-ZTHJLXDFSA-NSynonyms
956964-92-4(3~(a)~(R)8~(a)~(R)9~(a)~(R))3((4(3chlorophenyl)piperazin1yl)methyl)58~(a)dimethyl33~(a)7899~(a)hexahydrobenzo(f)(1)benzofuran2one
(3S3aR8aR9aR)3((4(3chlorophenyl)piperazin1yl)methyl)58adimethyl33a88a99ahexahydronaphtho(23b)furan2(7H)one
16398326
956964924
InChI=1SC25H31ClN2O2c11754825(2)152320(1422(17)25)21(24(29)3023)162791128(121027)1973618(26)1319h3571314202123H48121516H212H3t2021?2325m1s1
O=C1O(C@H)2(C@@H)(C1CN1CCN(CC1)c1cccc(c1)Cl)C=C1(C@)(C2)(C)CCC=C1C
ZINC000061997017
ZINC000061997018
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