Vitas-M small molecule compound

(3aR,5S,5aR,8aS,8bR)-N-[4-(heptyloxy)phenyl]-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-carboxamide (non-preferred name)

Catalog ID
STK891246
SMILES CCCCCCCOc1ccc(cc1)NC(=O)[C@H]1O[C@@H]2OC(O[C@@H]2[C@@H]2[C@H]1OC(O2)(C)C)(C)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 C25H37NO7 MW 463.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H37NO7/c1-6-7-8-9-10-15-28-17-13-11-16(12-14-17)26-22(27)20-18-19(31-24(2,3)30-18)21-23(29-20)33-25(4,5)32-21/h11-14,18-21,23H,6-10,15H2,1-5H3,(H,26,27)/t18-,19+,20+,21-,23-/m1/s1
InChIKey
XDPZRTZZFOLITE-DLBZZEGUSA-N
Synonyms
449797-03-9
(3aR5S5aR8aS8bR)N(4(heptyloxy)phenyl)2277tetramethyltetrahydro3aHbis((13)dioxolo)(45b45d)pyran5carboxamide
(3aR5S5aR8aS8bR)N(4(heptyloxy)phenyl)2277tetramethyltetrahydro3aHbis(13)dioxolo(45b45d)pyran5carboxamide(nonpreferredname)
(3aR5S5aR8aS8bR)N(4heptoxyphenyl)2277tetramethyl55a8a8btetrahydro3aHdi(13)dioxolo(54a54d)pyran5carboxamide
449797039
CCCCCCCOC1=CC=C(C=C1)NC(=O)C2C3C(C4C(O2)OC(O4)(C)C)OC(O3)(C)C
CCCCCCCOc1ccc(cc1)NC(=O)(C@H)1O(C@@H)2OC(O(C@@H)2(C@@H)2(C@H)1OC(O2)(C)C)(C)C
InChI=1SC25H37NO7c1678910152817131116(121417)2622(27)201819(3124(23)3018)2123(2920)3325(45)3221h1114182123H61015H215H3(H2627)t1819+20+2123m1s1
MFCD18247047
ZINC000002674101
ZINC2674101

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.