Vitas-M small molecule compound
(3S,3aR,5S,8aR,9aR)-5,8a-dimethyl-3-(((2-morpholinoethyl)amino)methyl)-3,3a,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(5H)-one
Catalog ID
STL562668
SMILES O=C1O[C@H]2[C@@H](C1CNCCN1CCOCC1)C=C1[C@](C2)(C)CCC[C@@H]1C
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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 C21H34N2O3 MW 362.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H34N2O3/c1-15-4-3-5-21(2)13-19-16(12-18(15)21)17(20(24)26-19)14-22-6-7-23-8-10-25-11-9-23/h12,15-17,19,22H,3-11,13-14H2,1-2H3/t15-,16+,17?,19+,21+/m0/s1InChIKey
UHKHUDBVTXBLLN-BTLTWMERSA-NSynonyms
957015-36-0(3aR5S8aR9aR)58adimethyl3((2morpholin4ylethylamino)methyl)33a567899aoctahydrobenzo(f)(1)benzofuran2one
(3S3aR5S8aR9aR)58adimethyl3(((2morpholinoethyl)amino)methyl)33a6788a99aoctahydronaphtho(23b)furan2(5H)one
16397715
957015360
InChI=1SC21H34N2O3c11543521(2)131916(1218(15)21)17(20(24)2619)142267238102511923h1215171922H3111314H212H3t1516+17?19+21+m0s1
MFCD32651327
O=C1O(C@H)2(C@@H)(C1CNCCN1CCOCC1)C=C1(C@)(C2)(C)CCC(C@@H)1C
ZINC000020113290
ZINC000020113291
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