Vitas-M small molecule compound
(1aR,2S,5aR,6aR,9S,9aR,9bS)-9-((4-benzhydrylpiperazin-1-yl)methyl)-2,5a-dimethyloctahydro-2H-oxireno[2',3':4,4a]naphtho[2,3-b]furan-8(9bH)-one
Catalog ID
STL527580
SMILES O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)C(c1ccccc1)c1ccccc1)[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 C32H40N2O3 MW 500.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H40N2O3/c1-22-10-9-15-31(2)20-26-27(29-32(22,31)37-29)25(30(35)36-26)21-33-16-18-34(19-17-33)28(23-11-5-3-6-12-23)24-13-7-4-8-14-24/h3-8,11-14,22,25-29H,9-10,15-21H2,1-2H3/t22-,25?,26+,27+,29-,31+,32-/m0/s1InChIKey
COFAEEGTGWXAFK-ARMYWZALSA-NSynonyms
956197-45-8(1~(R)3~(S)4~(R)8~(R)10~(R)14~(S))5((4benzhydrylpiperazin1yl)methyl)1014dimethyl27dioxatetracyclo(8400^(13)0^(48))tetradecan6one
(1aR2S5aR6aR9S9aR9bS)9((4benzhydrylpiperazin1yl)methyl)25adimethyloctahydro2Hoxireno(2344a)naphtho(23b)furan8(9bH)one
16398032
956197458
InChI=1SC32H40N2O3c1221091531(2)202627(2932(2231)3729)25(30(35)3626)2133161834(191733)28(23115361223)24137481424h381114222529H9101521H212H3t2225?26+27+2931+32m0s1
MFCD32649870
O=C1O(C@H)2(C@@H)(C1CN1CCN(CC1)C(c1ccccc1)c1ccccc1)(C@@H)1O(C@@)31(C@)(C2)(C)CCC(C@@H)3C
ZINC000070673140
ZINC000070673141
Check stock
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Check stock on Vitas-MAvailable files
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