Vitas-M small molecule compound
(1aR,1bR,4R,4aS,7R,7aS,9aR)-4-((3,4-dihydroisoquinolin-2(1H)-yl)methyl)-7,9a-dimethyloctahydro-1aH-oxireno[2',3':7,8]naphtho[8a,1-b]furan-3(4H)-one
Catalog ID
STL566130
SMILES O=C1O[C@@]23[C@H](C1CN1CCc4c(C1)cccc4)CC[C@H]([C@@H]2CC[C@@]1([C@H]3O1)C)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 C24H31NO3 MW 381.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H31NO3/c1-15-7-8-20-18(14-25-12-10-16-5-3-4-6-17(16)13-25)21(26)27-24(20)19(15)9-11-23(2)22(24)28-23/h3-6,15,18-20,22H,7-14H2,1-2H3/t15-,18?,19+,20+,22-,23-,24-/m1/s1InChIKey
LDYXBXJFQRMXDU-YHAHBJPESA-NSynonyms
956709-31-2(1aR1bR4R4aS7R7aS9aR)4((34dihydroisoquinolin2(1H)yl)methyl)79adimethyloctahydro1aHoxireno(2378)naphtho(8a1b)furan3(4H)one
(1R5S8R9S12R14R)4(34dihydro1Hisoquinolin2ylmethyl)812dimethyl213dioxatetracyclo(75001501214)tetradecan3one
16399930
956709312
InChI=1SC24H31NO3c115782018(1425121016534617(16)1325)21(26)2724(20)19(15)91123(2)22(24)2823h3615182022H714H212H3t1518?19+20+222324m1s1
MFCD32651844
O=C1O(C@@)23(C@H)(C1CN1CCc4c(C1)cccc4)CC(C@H)((C@@H)2CC(C@@)1((C@H)3O1)C)C
ZINC000004064704
ZINC000012862226
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