Vitas-M small molecule compound

(3a'R,5'S,5a'R,8a'S,8b'R)-N-[4-(pentyloxy)phenyl]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
STK891247
SMILES CCCCCOc1ccc(cc1)NC(=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 C29H41NO7 MW 515.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H41NO7/c1-2-3-10-19-32-21-13-11-20(12-14-21)30-26(31)24-22-23(35-28(34-22)15-6-4-7-16-28)25-27(33-24)37-29(36-25)17-8-5-9-18-29/h11-14,22-25,27H,2-10,15-19H2,1H3,(H,30,31)/t22-,23+,24+,25-,27-/m1/s1
InChIKey
MLYPKZFSRQPHJJ-SRFJDDQZSA-N
Synonyms

(1R2S6S8R9S)N(4(pentyloxy)phenyl)dispiro(cyclohexane14(3571012)pentaoxatricyclo(7300^(26))dodecane111cyclohexane)8carboxamide
(3aR5S5aR8aS8bR)N(4(pentyloxy)phenyl)tetrahydro3aHdispiro(cyclohexane12bis(13)dioxolo(45b45d)pyran71cyclohexane)5carboxamide(nonpreferredname)
CCCCCOC1=CC=C(C=C1)NC(=O)C2C3C(C4C(O2)OC5(O4)CCCCC5)OC6(O3)CCCCC6
CCCCCOc1ccc(cc1)NC(=O)(C@@H)1O(C@H)2OC3(O(C@H)2(C@H)2(C@@H)1OC1(O2)CCCCC1)CCCCC3
CCCCCOc1ccc(cc1)NC(=O)(C@H)1O(C@@H)2OC3(O(C@@H)2(C@@H)2(C@H)1OC1(O2)CCCCC1)CCCCC3
InChI=1SC29H41NO7c12310193221131120(121421)3026(31)242223(3528(3422)156471628)2527(3324)3729(3625)178591829h1114222527H2101519H21H3(H3031)t2223+24+2527m1s1
MFCD18247048
ZINC000102784536
ZINC102784536

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Available files

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