Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-3-((4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)methyl)-5,8a-dimethyl-3,3a,8,8a,9,9a-hexahydronaphtho[2,3-b]furan-2(7H)-one
Catalog ID
STL553289
SMILES Clc1ccc(cc1)C(c1ccccc1)N1CCN(CC1)CC1C(=O)O[C@H]2[C@@H]1C=C1C(=CCC[C@@]1(C2)C)C
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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 C32H37ClN2O2 MW 517.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H37ClN2O2/c1-22-7-6-14-32(2)20-29-26(19-28(22)32)27(31(36)37-29)21-34-15-17-35(18-16-34)30(23-8-4-3-5-9-23)24-10-12-25(33)13-11-24/h3-5,7-13,19,26-27,29-30H,6,14-18,20-21H2,1-2H3/t26-,27?,29-,30?,32-/m1/s1InChIKey
UPYWLQWRUNUSPT-BFEJLLPNSA-NSynonyms
956956-45-9(3~(a)~(R)8~(a)~(R)9~(a)~(R))3((4((4chlorophenyl)phenylmethyl)piperazin1yl)methyl)58~(a)dimethyl33~(a)7899~(a)hexahydrobenzo(f)(1)benzofuran2one
(3S3aR8aR9aR)3((4((4chlorophenyl)(phenyl)methyl)piperazin1yl)methyl)58adimethyl33a88a99ahexahydronaphtho(23b)furan2(7H)one
16404144
956956459
Clc1ccc(cc1)C(c1ccccc1)N1CCN(CC1)CC1C(=O)O(C@H)2(C@@H)1C=C1C(=CCC(C@@)1(C2)C)C
InChI=1SC32H37ClN2O2c122761432(2)202926(1928(22)32)27(31(36)3729)2134151735(181634)30(238435923)24101225(33)131124h357131926272930H614182021H212H3t2627?2930?32m1s1
ZINC000020612096
ZINC000020612101
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