Vitas-M small molecule compound
(3S,3aR,4aS,8aR,9aR)-8a-methyl-3-((3-methyl-4-(m-tolyl)piperazin-1-yl)methyl)-5-methylenedecahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL541684
SMILES O=C1O[C@H]2[C@@H](C1CN1CCN(C(C1)C)c1cccc(c1)C)C[C@@H]1[C@](C2)(C)CCCC1=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 C27H38N2O2 MW 422.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H38N2O2/c1-18-7-5-9-21(13-18)29-12-11-28(16-20(29)3)17-23-22-14-24-19(2)8-6-10-27(24,4)15-25(22)31-26(23)30/h5,7,9,13,20,22-25H,2,6,8,10-12,14-17H2,1,3-4H3/t20?,22-,23?,24+,25-,27-/m1/s1InChIKey
BVOXDGZFFZFRNN-KGUDAPOPSA-NSynonyms
956942-45-3(3~(a)~(R)4~(a)~(S)8~(a)~(R)9~(a)~(R))8~(a)methyl5methylidene3((3methyl4(3methylphenyl)piperazin1yl)methyl)3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran2one
(3S3aR4aS8aR9aR)8amethyl3((3methyl4(mtolyl)piperazin1yl)methyl)5methylenedecahydronaphtho(23b)furan2(3H)one
16401006
956942453
InChI=1SC27H38N2O2c11875921(1318)29121128(1620(29)3)172322142419(2)861027(244)1525(22)3126(23)30h57913202225H26810121417H2134H3t20?2223?24+2527m1s1
MFCD32650012
O=C1O(C@H)2(C@@H)(C1CN1CCN(C(C1)C)c1cccc(c1)C)C(C@@H)1(C@)(C2)(C)CCCC1=C
ZINC000059415279
ZINC000252693298
Check stock
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