Vitas-M small molecule compound
(2'R,3S,3aR,8aR,9aR)-3-((4-(3-chlorophenyl)piperazin-1-yl)methyl)-8a-methyldecahydro-2H-spiro[naphtho[2,3-b]furan-5,2'-oxiran]-2-one
Catalog ID
STL526363
SMILES Clc1cccc(c1)N1CCN(CC1)CC1C(=O)O[C@H]2[C@@H]1CC1[C@](C2)(C)CCC[C@]21OC2
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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 C25H33ClN2O3 MW 445.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H33ClN2O3/c1-24-6-3-7-25(16-30-25)22(24)13-19-20(23(29)31-21(19)14-24)15-27-8-10-28(11-9-27)18-5-2-4-17(26)12-18/h2,4-5,12,19-22H,3,6-11,13-16H2,1H3/t19-,20?,21-,22?,24-,25+/m1/s1InChIKey
COBUSKWZMSWAPG-FKMQAYIFSA-NSynonyms
957021-16-8(2R3S3aR8aR9aR)3((4(3chlorophenyl)piperazin1yl)methyl)8amethyldecahydro2Hspiro(naphtho(23b)furan52oxiran)2one
(3~(a)~(R)5~(R)8~(a)~(R)9~(a)~(R))3((4(3chlorophenyl)piperazin1yl)methyl)8~(a)methylspiro(3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran52oxirane)2one
16397079
957021168
Clc1cccc(c1)N1CCN(CC1)CC1C(=O)O(C@H)2(C@@H)1CC1(C@)(C2)(C)CCC(C@)21OC2
InChI=1SC25H33ClN2O3c12463725(163025)22(24)131920(23(29)3121(19)1424)152781028(11927)1852417(26)1218h245121922H36111316H21H3t1920?2122?2425+m1s1
ZINC000059409676
ZINC000061992860
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