Vitas-M small molecule compound
(2'R,3S,3aR,8aR,9aR)-8a-methyl-3-((phenethylamino)methyl)decahydro-2H-spiro[naphtho[2,3-b]furan-5,2'-oxiran]-2-one
Catalog ID
STL526381
SMILES O=C1O[C@H]2[C@@H](C1CNCCc1ccccc1)CC1[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 C23H31NO3 MW 369.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H31NO3/c1-22-9-5-10-23(15-26-23)20(22)12-17-18(21(25)27-19(17)13-22)14-24-11-8-16-6-3-2-4-7-16/h2-4,6-7,17-20,24H,5,8-15H2,1H3/t17-,18?,19-,20?,22-,23+/m1/s1InChIKey
UOTBPNDDJMUPDN-OGZOUQQCSA-NSynonyms
956975-83-0(2R3S3aR8aR9aR)8amethyl3((phenethylamino)methyl)decahydro2Hspiro(naphtho(23b)furan52oxiran)2one
(3~(a)~(R)5~(R)8~(a)~(R)9~(a)~(R))8~(a)methyl3((2phenylethylamino)methyl)spiro(3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran52oxirane)2one
16397001
956975830
InChI=1SC23H31NO3c122951023(152623)20(22)121718(21(25)2719(17)1322)1424118166324716h2467172024H5815H21H3t1718?1920?2223+m1s1
O=C1O(C@H)2(C@@H)(C1CNCCc1ccccc1)CC1(C@)(C2)(C)CCC(C@)21OC2
ZINC000004028526
ZINC000012659833
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