Vitas-M small molecule compound
(1aR,2S,5aR,6aR,9S,9aR,9bS)-9-((4-(hydroxydiphenylmethyl)piperazin-1-yl)methyl)-2,5a-dimethyloctahydro-2H-oxireno[2',3':4,4a]naphtho[2,3-b]furan-8(9bH)-one
Catalog ID
STL526482
SMILES O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)C(c1ccccc1)(c1ccccc1)O)[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 C32H40N2O4 MW 516.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H40N2O4/c1-22-10-9-15-30(2)20-26-27(28-31(22,30)38-28)25(29(35)37-26)21-33-16-18-34(19-17-33)32(36,23-11-5-3-6-12-23)24-13-7-4-8-14-24/h3-8,11-14,22,25-28,36H,9-10,15-21H2,1-2H3/t22-,25?,26+,27+,28-,30+,31-/m0/s1InChIKey
GDYBUZCIKOQCTP-BYZVEUBDSA-NSynonyms
957021-13-5(1~(R)3~(S)4~(R)8~(R)10~(R)14~(S))5((4(hydroxy(diphenyl)methyl)piperazin1yl)methyl)1014dimethyl27dioxatetracyclo(8400^(13)0^(48))tetradecan6one
(1aR2S5aR6aR9S9aR9bS)9((4(hydroxydiphenylmethyl)piperazin1yl)methyl)25adimethyloctahydro2Hoxireno(2344a)naphtho(23b)furan8(9bH)one
16397002
957021135
InChI=1SC32H40N2O4c1221091530(2)202627(2831(2230)3828)25(29(35)3726)2133161834(191733)32(3623115361223)24137481424h38111422252836H9101521H212H3t2225?26+27+2830+31m0s1
MFCD32649837
O=C1O(C@H)2(C@@H)(C1CN1CCN(CC1)C(c1ccccc1)(c1ccccc1)O)(C@@H)1O(C@@)31(C@)(C2)(C)CCC(C@@H)3C
ZINC000070670117
ZINC000070670118
Check stock
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Check stock on Vitas-MAvailable files
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