Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-3-((4-cinnamylpiperazin-1-yl)methyl)-8a-methyldecahydro-2H-spiro[naphtho[2,3-b]furan-5,2'-oxiran]-2-one
Catalog ID
STL533130
SMILES O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)C/C=C/c1ccccc1)CC1[C@](C2)(C)CCCC21OC2
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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 C28H38N2O3 MW 450.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H38N2O3/c1-27-10-6-11-28(20-32-28)25(27)17-22-23(26(31)33-24(22)18-27)19-30-15-13-29(14-16-30)12-5-9-21-7-3-2-4-8-21/h2-5,7-9,22-25H,6,10-20H2,1H3/b9-5+/t22-,23?,24-,25?,27-,28?/m1/s1InChIKey
ROHRUTAYOFATLK-UWONLHGVSA-NSynonyms
(3~(a)~(R)8~(a)~(R)9~(a)~(R))8~(a)methyl3((4((~(E))3phenylprop2enyl)piperazin1yl)methyl)spiro(3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran52oxirane)2one
(3S3aR8aR9aR)3((4cinnamylpiperazin1yl)methyl)8amethyldecahydro2Hspiro(naphtho(23b)furan52oxiran)2one
16404134
InChI=1SC28H38N2O3c1271061128(203228)25(27)172223(26(31)3324(22)1827)1930151329(141630)1259217324821h25792225H61020H21H3b95+t2223?2425?2728?m1s1
O=C1O(C@H)2(C@@H)(C1CN1CCN(CC1)CC=Cc1ccccc1)CC1(C@)(C2)(C)CCCC21OC2
ZINC000020612086
ZINC000082051585
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