Vitas-M small molecule compound
(3a'R,5'S,5a'R,8a'S,8b'R)-N-(2-butoxyphenyl)tetrahydro-3a'H-dispiro[cyclohexane-1,2'-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-7',1''-cyclohexane]-5'-carboxamide (non-preferred name)
Catalog ID
STL570108
SMILES CCCCOc1ccccc1NC(=O)[C@H]1O[C@@H]2OC3(O[C@@H]2[C@@H]2[C@H]1OC1(O2)CCCCC1)CCCCC3
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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 C28H39NO7 MW 501.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H39NO7/c1-2-3-18-31-20-13-7-6-12-19(20)29-25(30)23-21-22(34-27(33-21)14-8-4-9-15-27)24-26(32-23)36-28(35-24)16-10-5-11-17-28/h6-7,12-13,21-24,26H,2-5,8-11,14-18H2,1H3,(H,29,30)/t21-,22+,23+,24-,26-/m1/s1InChIKey
PLJFKRFLAVSDOK-IUSCBXDMSA-NSynonyms
452920-30-8(1S2R6R8R9S)8((4ethoxyphenyl)methoxymethyl)441111tetramethyl3571012pentaoxatricyclo(730026)dodecane
(1S2R6R8S9R)N(2butoxyphenyl)dispiro(cyclohexane14(3571012)pentaoxatricyclo(7300^(26))dodecane111cyclohexane)8carboxamide
(3aR5S5aR8aS8bR)N(2butoxyphenyl)tetrahydro3aHdispiro(cyclohexane12bis(13)dioxolo(45b45d)pyran71cyclohexane)5carboxamide(nonpreferredname)
16397511
452920308
CCCCOc1ccccc1NC(=O)(C@H)1O(C@@H)2OC3(O(C@@H)2(C@@H)2(C@H)1OC1(O2)CCCCC1)CCCCC3
InChI=1SC21H30O7c1623149713(81014)112212151617(2620(23)2516)1819(2415)2821(45)2718h7101519H61112H215H3t1516+17+1819m1s1
ZINC000070672083
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