Vitas-M small molecule compound
(2S,5aR,6aR,9S,9aR)-9-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)-2,5a-dimethyloctahydro-2H-oxireno[2',3':4,4a]naphtho[2,3-b]furan-8(9bH)-one
Catalog ID
STL534631
SMILES OCCN1CCN(CC1)CC1C(=O)O[C@H]2[C@@H]1C1OC31[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 C21H34N2O4 MW 378.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H34N2O4/c1-14-4-3-5-20(2)12-16-17(18-21(14,20)27-18)15(19(25)26-16)13-23-8-6-22(7-9-23)10-11-24/h14-18,24H,3-13H2,1-2H3/t14-,15?,16+,17+,18?,20+,21?/m0/s1InChIKey
VWQJVKQHXUQUIJ-XTUDOTINSA-NSynonyms
1214628-01-9(2S5aR6aR9S9aR)9((4(2hydroxyethyl)piperazin1yl)methyl)25adimethyloctahydro2Hoxireno(2344a)naphtho(23b)furan8(9bH)one
(4~(R)8~(R)10~(R)14~(S))5((4(2hydroxyethyl)piperazin1yl)methyl)1014dimethyl27dioxatetracyclo(8400^(13)0^(48))tetradecan6one
1214628019
16403962
InChI=1SC21H34N2O4c11443520(2)121617(1821(1420)2718)15(19(25)2616)13238622(7923)101124h141824H313H212H3t1415?16+17+18?20+21?m0s1
MFCD32649984
OCCN1CCN(CC1)CC1C(=O)O(C@H)2(C@@H)1C1OC31(C@)(C2)(C)CCC(C@@H)3C
ZINC000020611984
ZINC000100772766
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