Vitas-M small molecule compound
(3S,3aR,5R,8aR,9aR)-4a-hydroxy-5-methoxy-5,8a-dimethyl-3-(((2-morpholinoethyl)amino)methyl)decahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL562825
SMILES CO[C@]1(C)CCC[C@]2(C1(O)C[C@H]1[C@@H](C2)OC(=O)C1CNCCN1CCOCC1)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 C22H38N2O5 MW 410.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H38N2O5/c1-20-5-4-6-21(2,27-3)22(20,26)13-16-17(19(25)29-18(16)14-20)15-23-7-8-24-9-11-28-12-10-24/h16-18,23,26H,4-15H2,1-3H3/t16-,17?,18-,20-,21-,22?/m1/s1InChIKey
KIHWOIFCLKGLKQ-WXBVFJJMSA-NSynonyms
956968-65-3(3aR5R8aR9aR)4ahydroxy5methoxy58adimethyl3((2morpholin4ylethylamino)methyl)33a467899aoctahydrobenzo(f)(1)benzofuran2one
(3S3aR5R8aR9aR)4ahydroxy5methoxy58adimethyl3(((2morpholinoethyl)amino)methyl)decahydronaphtho(23b)furan2(3H)one
16398782
956968653
CO(C@)1(C)CCC(C@)2(C1(O)C(C@H)1(C@@H)(C2)OC(=O)C1CNCCN1CCOCC1)C
InChI=1SC22H38N2O5c12054621(2273)22(2026)131617(19(25)2918(16)1420)1523782491128121024h16182326H415H213H3t1617?18202122?m1s1
ZINC000020410984
ZINC000020410992
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