Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-3-(((2-methoxybenzyl)amino)methyl)-8a-methyldecahydro-2H-spiro[naphtho[2,3-b]furan-5,2'-oxiran]-2-one
Catalog ID
STL534325
SMILES COc1ccccc1CNCC1C(=O)O[C@H]2[C@@H]1CC1[C@](C2)(C)CCCC21OC2
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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/c1-22-8-5-9-23(14-27-23)20(22)10-16-17(21(25)28-19(16)11-22)13-24-12-15-6-3-4-7-18(15)26-2/h3-4,6-7,16-17,19-20,24H,5,8-14H2,1-2H3/t16-,17?,19-,20?,22-,23?/m1/s1InChIKey
AQSSCMNLIVYIHH-ZZHQDPQDSA-NSynonyms
1212467-49-6(3~(a)~(R)8~(a)~(R)9~(a)~(R))3(((2methoxyphenyl)methylamino)methyl)8~(a)methylspiro(3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran52oxirane)2one
(3S3aR8aR9aR)3(((2methoxybenzyl)amino)methyl)8amethyldecahydro2Hspiro(naphtho(23b)furan52oxiran)2one
1212467496
16405018
COc1ccccc1CNCC1C(=O)O(C@H)2(C@@H)1CC1(C@)(C2)(C)CCCC21OC2
InChI=1SC23H31NO4c12285923(142723)20(22)101617(21(25)2819(16)1122)13241215634718(15)262h34671617192024H5814H212H3t1617?1920?2223?m1s1
ZINC000012885975
ZINC000230023420
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