Vitas-M small molecule compound
(1aR,2S,5aR,6aR,9S,9aR,9bS)-9-((4-(3-chlorophenyl)piperazin-1-yl)methyl)-2,5a-dimethyloctahydro-2H-oxireno[2',3':4,4a]naphtho[2,3-b]furan-8(9bH)-one
Catalog ID
STL526125
SMILES O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1cccc(c1)Cl)[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 C25H33ClN2O3 MW 445.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H33ClN2O3/c1-16-5-4-8-24(2)14-20-21(22-25(16,24)31-22)19(23(29)30-20)15-27-9-11-28(12-10-27)18-7-3-6-17(26)13-18/h3,6-7,13,16,19-22H,4-5,8-12,14-15H2,1-2H3/t16-,19?,20+,21+,22-,24+,25-/m0/s1InChIKey
BRCHEZMOJIXZIY-IJQZVVLCSA-NSynonyms
957033-66-8(1~(R)3~(S)4~(R)8~(R)10~(R)14~(S))5((4(3chlorophenyl)piperazin1yl)methyl)1014dimethyl27dioxatetracyclo(8400^(13)0^(48))tetradecan6one
(1aR2S5aR6aR9S9aR9bS)9((4(3chlorophenyl)piperazin1yl)methyl)25adimethyloctahydro2Hoxireno(2344a)naphtho(23b)furan8(9bH)one
16397136
957033668
InChI=1SC25H33ClN2O3c11654824(2)142021(2225(1624)3122)19(23(29)3020)152791128(121027)1873617(26)1318h36713161922H458121415H212H3t1619?20+21+2224+25m0s1
MFCD32649813
O=C1O(C@H)2(C@@H)(C1CN1CCN(CC1)c1cccc(c1)Cl)(C@@H)1O(C@@)31(C@)(C2)(C)CCC(C@@H)3C
ZINC000059409722
ZINC000061992875
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