Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-3-(((benzo[d][1,3]dioxol-5-ylmethyl)amino)methyl)-8a-methyldecahydro-2H-spiro[naphtho[2,3-b]furan-5,2'-oxiran]-2-one
Catalog ID
STL532406
SMILES O=C1O[C@H]2[C@@H](C1CNCc1ccc3c(c1)OCO3)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 C23H29NO5 MW 399.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29NO5/c1-22-5-2-6-23(12-28-23)20(22)8-15-16(21(25)29-19(15)9-22)11-24-10-14-3-4-17-18(7-14)27-13-26-17/h3-4,7,15-16,19-20,24H,2,5-6,8-13H2,1H3/t15-,16?,19-,20?,22-,23?/m1/s1InChIKey
SUPCUEQUOHUVAQ-RXGQRXNUSA-NSynonyms
1212429-97-4(3~(a)~(R)8~(a)~(R)9~(a)~(R))3((13benzodioxol5ylmethylamino)methyl)8~(a)methylspiro(3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran52oxirane)2one
(3S3aR8aR9aR)3(((benzo(d)(13)dioxol5ylmethyl)amino)methyl)8amethyldecahydro2Hspiro(naphtho(23b)furan52oxiran)2one
1212429974
16404875
InChI=1SC23H29NO5c12252623(122823)20(22)81516(21(25)2919(15)922)11241014341718(714)27132617h3471516192024H256813H21H3t1516?1920?2223?m1s1
O=C1O(C@H)2(C@@H)(C1CNCc1ccc3c(c1)OCO3)CC1(C@)(C2)(C)CCCC21OC2
ZINC000004086371
ZINC000252695000
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