Vitas-M small molecule compound
(2S,5aR,6aR,9S,9aR)-2,5a-dimethyl-9-((((S)-1-phenylethyl)amino)methyl)octahydro-2H-oxireno[2',3':4,4a]naphtho[2,3-b]furan-8(9bH)-one
Catalog ID
STL534349
SMILES O=C1O[C@H]2[C@@H](C1CN[C@H](c1ccccc1)C)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/c1-14-8-7-11-22(3)12-18-19(20-23(14,22)27-20)17(21(25)26-18)13-24-15(2)16-9-5-4-6-10-16/h4-6,9-10,14-15,17-20,24H,7-8,11-13H2,1-3H3/t14-,15-,17?,18+,19+,20?,22+,23?/m0/s1InChIKey
UARIRGJWHKWMHN-JURYIUMVSA-NSynonyms
1212431-88-3(2S5aR6aR9S9aR)25adimethyl9((((S)1phenylethyl)amino)methyl)octahydro2Hoxireno(2344a)naphtho(23b)furan8(9bH)one
(4~(R)8~(R)10~(R)14~(S))1014dimethyl5((((1~(S))1phenylethyl)amino)methyl)27dioxatetracyclo(8400^(13)0^(48))tetradecan6one
1212431883
16404908
InChI=1SC23H31NO3c114871122(3)121819(2023(1422)2720)17(21(25)2618)132415(2)1695461016h469101415172024H781113H213H3t141517?18+19+20?22+23?m0s1
MFCD32649975
O=C1O(C@H)2(C@@H)(C1CN(C@H)(c1ccccc1)C)C1OC31(C@)(C2)(C)CCC(C@@H)3C
ZINC000012885487
ZINC000252695038
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