Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-3-((4-benzylpiperazin-1-yl)methyl)-8a-methyldecahydro-2H-spiro[naphtho[2,3-b]furan-5,2'-oxiran]-2-one
Catalog ID
STL545942
SMILES O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)Cc1ccccc1)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 C26H36N2O3 MW 424.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H36N2O3/c1-25-8-5-9-26(18-30-26)23(25)14-20-21(24(29)31-22(20)15-25)17-28-12-10-27(11-13-28)16-19-6-3-2-4-7-19/h2-4,6-7,20-23H,5,8-18H2,1H3/t20-,21?,22-,23?,25-,26?/m1/s1InChIKey
GYITWWJGOHLJSX-QPFZBUGGSA-NSynonyms
1212487-60-9(3~(a)~(R)8~(a)~(R)9~(a)~(R))3((4benzylpiperazin1yl)methyl)8~(a)methylspiro(3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran52oxirane)2one
(3S3aR8aR9aR)3((4benzylpiperazin1yl)methyl)8amethyldecahydro2Hspiro(naphtho(23b)furan52oxiran)2one
1212487609
16396420
InChI=1SC26H36N2O3c12585926(183026)23(25)142021(24(29)3122(20)1525)1728121027(111328)16196324719h24672023H5818H21H3t2021?2223?2526?m1s1
O=C1O(C@H)2(C@@H)(C1CN1CCN(CC1)Cc1ccccc1)CC1(C@)(C2)(C)CCCC21OC2
ZINC000020111357
ZINC000082051490
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