Vitas-M small molecule compound
(2S,5aR,6aR,9S,9aR)-9-(((S)-4-(4-methoxyphenyl)-3-methylpiperazin-1-yl)methyl)-2,5a-dimethyloctahydro-2H-oxireno[2',3':4,4a]naphtho[2,3-b]furan-8(9bH)-one
Catalog ID
STL531189
SMILES COc1ccc(cc1)N1CCN(CC1C)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 C27H38N2O4 MW 454.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H38N2O4/c1-17-6-5-11-26(3)14-22-23(24-27(17,26)33-24)21(25(30)32-22)16-28-12-13-29(18(2)15-28)19-7-9-20(31-4)10-8-19/h7-10,17-18,21-24H,5-6,11-16H2,1-4H3/t17-,18?,21?,22+,23+,24?,26+,27?/m0/s1InChIKey
HORBAYPOSKXLJO-POBGBORWSA-NSynonyms
1212455-84-9(2S5aR6aR9S9aR)9(((S)4(4methoxyphenyl)3methylpiperazin1yl)methyl)25adimethyloctahydro2Hoxireno(2344a)naphtho(23b)furan8(9bH)one
(4~(R)8~(R)10~(R)14~(S))5((4(4methoxyphenyl)3methylpiperazin1yl)methyl)1014dimethyl27dioxatetracyclo(8400^(13)0^(48))tetradecan6one
1212455849
16404925
COc1ccc(cc1)N1CCN(CC1C)CC1C(=O)O(C@H)2(C@@H)1C1OC31(C@)(C2)(C)CCC(C@@H)3C
InChI=1SC27H38N2O4c117651126(3)142223(2427(1726)3324)21(25(30)3222)1628121329(18(2)1528)197920(314)10819h71017182124H561116H214H3t1718?21?22+23+24?26+27?m0s1
MFCD32649925
ZINC000252694047
ZINC000252694050
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