Vitas-M small molecule compound
(2'R,3S,3aR,8aR,9aR)-3-(((4-methoxybenzyl)amino)methyl)-8a-methyldecahydro-2H-spiro[naphtho[2,3-b]furan-5,2'-oxiran]-2-one
Catalog ID
STL562425
SMILES COc1ccc(cc1)CNCC1C(=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 C23H31NO4 MW 385.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H31NO4/c1-22-8-3-9-23(14-27-23)20(22)10-17-18(21(25)28-19(17)11-22)13-24-12-15-4-6-16(26-2)7-5-15/h4-7,17-20,24H,3,8-14H2,1-2H3/t17-,18?,19-,20?,22-,23+/m1/s1InChIKey
XUUAJBGMSDFLAK-OGZOUQQCSA-NSynonyms
956953-30-3(2R3S3aR8aR9aR)3(((4methoxybenzyl)amino)methyl)8amethyldecahydro2Hspiro(naphtho(23b)furan52oxiran)2one
(3aR5R8aR9aR)3(((4methoxyphenyl)methylamino)methyl)8amethylspiro(3a44a67899aoctahydro3Hbenzo(f)(1)benzofuran52oxirane)2one
16396988
956953303
COc1ccc(cc1)CNCC1C(=O)O(C@H)2(C@@H)1CC1(C@)(C2)(C)CCC(C@)21OC2
InChI=1SC23H31NO4c12283923(142723)20(22)101718(21(25)2819(17)1122)132412154616(262)7515h47172024H3814H212H3t1718?1920?2223+m1s1
ZINC000004028500
ZINC000012659812
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