Vitas-M small molecule compound
(2'R,3S,3aR,8aR,9aR)-3-((4-(5-chloro-2-methylphenyl)piperazin-1-yl)methyl)-8a-methyldecahydro-2H-spiro[naphtho[2,3-b]furan-5,2'-oxiran]-2-one
Catalog ID
STL528150
SMILES Clc1ccc(c(c1)N1CCN(CC1)CC1C(=O)O[C@H]2[C@@H]1CC1[C@](C2)(C)CCC[C@]21OC2)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 C26H35ClN2O3 MW 459.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H35ClN2O3/c1-17-4-5-18(27)12-21(17)29-10-8-28(9-11-29)15-20-19-13-23-25(2,14-22(19)32-24(20)30)6-3-7-26(23)16-31-26/h4-5,12,19-20,22-23H,3,6-11,13-16H2,1-2H3/t19-,20?,22-,23?,25-,26+/m1/s1InChIKey
XVZKHNJQQWAJGA-PORJIZSJSA-NSynonyms
956822-56-3(2R3S3aR8aR9aR)3((4(5chloro2methylphenyl)piperazin1yl)methyl)8amethyldecahydro2Hspiro(naphtho(23b)furan52oxiran)2one
(3~(a)~(R)5~(R)8~(a)~(R)9~(a)~(R))3((4(5chloro2methylphenyl)piperazin1yl)methyl)8~(a)methylspiro(3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran52oxirane)2one
16398740
956822563
Clc1ccc(c(c1)N1CCN(CC1)CC1C(=O)O(C@H)2(C@@H)1CC1(C@)(C2)(C)CCC(C@)21OC2)C
InChI=1SC26H35ClN2O3c1174518(27)1221(17)2910828(91129)152019132325(21422(19)3224(20)30)63726(23)163126h451219202223H36111316H212H3t1920?2223?2526+m1s1
ZINC000059415066
ZINC000061997032
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