Vitas-M small molecule compound
(1aR,2S,5aR,6aR,9S,9aR,9bS)-9-((4-(2,3-dimethylphenyl)piperazin-1-yl)methyl)-2,5a-dimethyloctahydro-2H-oxireno[2',3':4,4a]naphtho[2,3-b]furan-8(9bH)-one hydrochloride
Catalog ID
STL526647
SMILES O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1cccc(c1C)C)[C@@H]1O[C@@]31[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 C27H38N2O3 MW 438.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H38N2O3/c1-17-7-5-9-21(19(17)3)29-13-11-28(12-14-29)16-20-23-22(31-25(20)30)15-26(4)10-6-8-18(2)27(26)24(23)32-27/h5,7,9,18,20,22-24H,6,8,10-16H2,1-4H3/t18-,20?,22+,23+,24-,26+,27-/m0/s1InChIKey
HBYHOCYVPJTQJN-QZAIMAGNSA-NSynonyms
(1~(R)3~(S)4~(R)8~(R)10~(R)14~(S))5((4(23dimethylphenyl)piperazin1yl)methyl)1014dimethyl27dioxatetracyclo(8400^(13)0^(48))tetradecan6one
(1aR2S5aR6aR9S9aR9bS)9((4(23dimethylphenyl)piperazin1yl)methyl)25adimethyloctahydro2Hoxireno(2344a)naphtho(23b)furan8(9bH)onehydrochloride
16397620
InChI=1SC27H38N2O3c11775921(19(17)3)29131128(121429)16202322(3125(20)30)1526(4)106818(2)27(26)24(23)3227h57918202224H681016H214H3t1820?22+23+2426+27m0s1
MFCD32649839
O=C1O(C@H)2(C@@H)(C1CN1CCN(CC1)c1cccc(c1C)C)(C@@H)1O(C@@)31(C@)(C2)(C)CCC(C@@H)3CCl
ZINC000059410094
ZINC000061992908
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