Vitas-M small molecule compound
(3S,3aR,4aR,8aR,9aR)-3-((4-((4-chlorophenyl)(phenyl)methyl)piperazin-1-yl)methyl)-8a-methyldecahydro-2H-spiro[naphtho[2,3-b]furan-5,2'-oxiran]-2-one
Catalog ID
STL537039
SMILES Clc1ccc(cc1)C(c1ccccc1)N1CCN(CC1)CC1C(=O)O[C@H]2[C@@H]1C[C@H]1C3(CCC[C@@]1(C2)C)CO3
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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 C32H39ClN2O3 MW 535.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H39ClN2O3/c1-31-12-5-13-32(21-37-32)28(31)18-25-26(30(36)38-27(25)19-31)20-34-14-16-35(17-15-34)29(22-6-3-2-4-7-22)23-8-10-24(33)11-9-23/h2-4,6-11,25-29H,5,12-21H2,1H3/t25-,26?,27-,28-,29?,31-,32?/m1/s1InChIKey
YFSJFJGUSDZTSP-PFTLGUGASA-NSynonyms
1212474-14-0(3~(a)~(R)4~(a)~(R)8~(a)~(R)9~(a)~(R))3((4((4chlorophenyl)phenylmethyl)piperazin1yl)methyl)8~(a)methylspiro(3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran52oxirane)2one
(3S3aR4aR8aR9aR)3((4((4chlorophenyl)(phenyl)methyl)piperazin1yl)methyl)8amethyldecahydro2Hspiro(naphtho(23b)furan52oxiran)2one
1212474140
16400387
Clc1ccc(cc1)C(c1ccccc1)N1CCN(CC1)CC1C(=O)O(C@H)2(C@@H)1C(C@H)1C3(CCC(C@@)1(C2)C)CO3
InChI=1SC32H39ClN2O3c1311251332(213732)28(31)182526(30(36)3827(25)1931)2034141635(171534)29(226324722)2381024(33)11923h246112529H51221H21H3t2526?272829?3132?m1s1
ZINC000070687390
ZINC000252695329
Check stock
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Check stock on Vitas-MAvailable files
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