Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-3-(((3-(1H-imidazol-1-yl)propyl)amino)methyl)-8a-methyl-5-methylenedecahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL564839
SMILES O=C1O[C@H]2[C@@H](C1CNCCCn1cncc1)CC1[C@](C2)(C)CCCC1=C
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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 C21H31N3O2 MW 357.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H31N3O2/c1-15-5-3-6-21(2)12-19-16(11-18(15)21)17(20(25)26-19)13-22-7-4-9-24-10-8-23-14-24/h8,10,14,16-19,22H,1,3-7,9,11-13H2,2H3/t16-,17?,18?,19-,21-/m1/s1InChIKey
GVQXMWUKRNTWTN-UCMFBROFSA-NSynonyms
956975-86-3(3aR8aR9aR)3((3imidazol1ylpropylamino)methyl)8amethyl5methylidene3a44a67899aoctahydro3Hbenzo(f)(1)benzofuran2one
(3S3aR8aR9aR)3(((3(1Himidazol1yl)propyl)amino)methyl)8amethyl5methylenedecahydronaphtho(23b)furan2(3H)one
16397020
956975863
InChI=1SC21H31N3O2c11553621(2)121916(1118(15)21)17(20(25)2619)132274924108231424h81014161922H13791113H22H3t1617?18?1921m1s1
O=C1O(C@H)2(C@@H)(C1CNCCCn1cncc1)CC1(C@)(C2)(C)CCCC1=C
ZINC000003984179
ZINC000012659872
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