Vitas-M small molecule compound
(2S,5aR,6aR,9S,9aR)-2,5a-dimethyl-9-((phenethylamino)methyl)octahydro-2H-oxireno[2',3':4,4a]naphtho[2,3-b]furan-8(9bH)-one
Catalog ID
STL532539
SMILES O=C1O[C@H]2[C@@H](C1CNCCc1ccccc1)C1OC31[C@](C2)(C)CCC[C@@H]3C
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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 C23H31NO3 MW 369.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H31NO3/c1-15-7-6-11-22(2)13-18-19(20-23(15,22)27-20)17(21(25)26-18)14-24-12-10-16-8-4-3-5-9-16/h3-5,8-9,15,17-20,24H,6-7,10-14H2,1-2H3/t15-,17?,18+,19+,20?,22+,23?/m0/s1InChIKey
MTJYMMDGGCHXAK-KPTZLGJWSA-NSynonyms
1212450-76-4(2S5aR6aR9S9aR)25adimethyl9((phenethylamino)methyl)octahydro2Hoxireno(2344a)naphtho(23b)furan8(9bH)one
(4~(R)8~(R)10~(R)14~(S))1014dimethyl5((2phenylethylamino)methyl)27dioxatetracyclo(8400^(13)0^(48))tetradecan6one
1212450764
16403716
InChI=1SC23H31NO3c115761122(2)131819(2023(1522)2720)17(21(25)2618)14241210168435916h358915172024H671014H212H3t1517?18+19+20?22+23?m0s1
MFCD32649941
O=C1O(C@H)2(C@@H)(C1CNCCc1ccccc1)C1OC31(C@)(C2)(C)CCC(C@@H)3C
ZINC000004084402
ZINC000100771935
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