Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-3-(((3-(furan-2-yl)-4-phenylbutyl)amino)methyl)-8a-methyldecahydro-2H-spiro[naphtho[2,3-b]furan-5,2'-oxiran]-2-one
Catalog ID
STL534770
SMILES O=C1O[C@H]2[C@@H](C1CNCCC(c1ccco1)Cc1ccccc1)CC1[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 C29H37NO4 MW 463.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H37NO4/c1-28-11-6-12-29(19-33-29)26(28)16-22-23(27(31)34-25(22)17-28)18-30-13-10-21(24-9-5-14-32-24)15-20-7-3-2-4-8-20/h2-5,7-9,14,21-23,25-26,30H,6,10-13,15-19H2,1H3/t21?,22-,23?,25-,26?,28-,29?/m1/s1InChIKey
GOLCHXGJBJEBAJ-OZLJKRNISA-NSynonyms
1212487-31-4(3~(a)~(R)8~(a)~(R)9~(a)~(R))3(((3(furan2yl)4phenylbutyl)amino)methyl)8~(a)methylspiro(3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran52oxirane)2one
(3S3aR8aR9aR)3(((3(furan2yl)4phenylbutyl)amino)methyl)8amethyldecahydro2Hspiro(naphtho(23b)furan52oxiran)2one
1212487314
16403894
InChI=1SC29H37NO4c1281161229(193329)26(28)162223(27(31)3425(22)1728)1830131021(2495143224)15207324820h2579142123252630H610131519H21H3t21?2223?2526?2829?m1s1
O=C1O(C@H)2(C@@H)(C1CNCCC(c1ccco1)Cc1ccccc1)CC1(C@)(C2)(C)CCCC21OC2
ZINC000008790193
ZINC000252693876
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